SCHEMBL2524987

SCHEMBL2524987

CC(C)(C)NCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
CYP1A2 P05177 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
EPHX1 P07099 2/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11967194 0.97 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10453705 0.92 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8259142 0.87
SCHEMBL14176504 0.87 SAT1 (0.39)
SCHEMBL14176506 0.83 ADH1B (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14401626 0.79 CYP1A2 (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24775183 0.78 SAT1 (0.34)
SCHEMBL25743739 0.78 SAT1 (0.34)
SCHEMBL24775165 0.78 SAT1 (0.39)
SCHEMBL629231 0.78 SIGMAR1 (0.47) CYP1A2SIGMAR1EPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-11685722-B2 Inhibition of Olig2 activity Curtana Pharmaceuticals, Inc. (US) 2023-06-27 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 US disclosed
US-10550073-B2 Benzamide derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-02-04 US disclosed
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2018-08-02 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080275073-A1 CRYSTALLINE FORMS AND POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS PHARMACEUTICALLY ACCEPTABLE SALTS WYETH (US) 2008-11-06 US disclosed
US-20080262008-A1 useful for inhibiting protein kinase activity; heating an amount of one crystalline polymorph of the compound of formula I as the pharmaceutically acceptable salt to a temperature that converts it to a different crystalline polymorph WYETH (US) 2008-10-23 US disclosed
US-20080262009-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS ACETATE SALTS WYETH (US) 2008-10-23 US disclosed
US-20080262010-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS D-GLUCORONATE SALTS WYETH (US) 2008-10-23 US disclosed
US-7326703-B2 (1,10B-Dihydro-2-(aminocarbonyl-phenyl)-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl methanone derivatives as HIV viral replication inhibitors TIBOTEC PHARMACEUTICALS LTD (IL) 2008-02-05 US disclosed
US-20070254884-A1 Compositions and Methods for Inducing Cell Dedifferentiation THE SCRIPPS RESEARCH INSTITUTE 2007-11-01 US disclosed
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2007-10-25 US disclosed
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs WYETH (US) 2007-10-18 US disclosed
CN-1541995-A Novel method for synthesizing gamma-amino acid 中国科学院成都有机化学研究所 2004-11-03 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ADH1B 3176/4885ADH1C 2836/4885ADH1A 3768/4885
US-20070254884-A1 Compositions and Methods for Inducing Cell Dedifferentiation PAX3, PAX2, ALPG ADH1B 515/4885ADH1C 2726/4885ADH1A 3157/4885
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 ADH1B 263/4885ADH1C 1662/4885ADH1A 1252/4885
US-20080275073-A1 CRYSTALLINE FORMS AND POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS PHARMACEUTICALLY ACCEPTABLE SALTS ABCG2, CYP3A43, CYP2D6 ADH1B 646/4885ADH1C 1507/4885ADH1A 541/4885
US-11685722-B2 Inhibition of Olig2 activity GLI2, ING2, GMFG ADH1B 2296/4885ADH1C 3599/4885ADH1A 3874/4885
US-20080262009-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS ACETATE SALTS CYP2F1, CYP4B1, CYP3A4 ADH1B 220/4885ADH1C 128/4885ADH1A 68/4885
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MKI67, MCL1 ADH1B 407/4885ADH1C 1022/4885ADH1A 1170/4885
US-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 ADH1B 3203/4885ADH1C 3692/4885ADH1A 3701/4885
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs HPRT1, APRT, NUDT1 ADH1B 1428/4885ADH1C 4189/4885ADH1A 3422/4885
US-10550073-B2 Benzamide derivative CYP3A5, ABCB1, CYP2D6 ADH1B 977/4885ADH1C 755/4885ADH1A 172/4885
US-20080262010-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS D-GLUCORONATE SALTS GALE, UGGT1, UGT1A3 ADH1B 605/4885ADH1C 211/4885ADH1A 436/4885
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B ADH1B 1337/4885ADH1C 1777/4885ADH1A 2894/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ADH1B 3176/4885ADH1C 2836/4885ADH1A 3768/4885
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors POLRMT, MAVS, DHX15 ADH1B 1176/4885ADH1C 401/4885ADH1A 919/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 ADH1B 263/4885ADH1C 1662/4885ADH1A 1252/4885
US-20080262008-A1 useful for inhibiting protein kinase activity; heating an amount of one crystalline polymorph of the compound of formula I as the pharmaceutically acceptable salt to a temperature that converts it to a different crystalline polymorph CSNK1A1, PRKX, PRKACA ADH1B 2451/4885ADH1C 2661/4885ADH1A 2791/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT ADH1B 233/4885ADH1C 2139/4885ADH1A 2390/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.