SCHEMBL172558

SCHEMBL172558

COc1ccc(C)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.52
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
PDE10A Q9Y233 12/20 0.42
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
BRD7 Q9NPI1 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PDE2A O00408 6/20 0.38
PDE5A O76074 4/20 0.38
PDE7A Q13946 4/20 0.38
PDE11A Q9HCR9 3/20 0.38
PDE6D O43924 1/20 0.37
PDE6A P16499 1/20 0.37
PDE6G P18545 1/20 0.37

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
SCHEMBL27235504 0.78 NNMT (0.46) NNMTCYP1A2KMT2ANOS3NOS1
SCHEMBL4977234 0.78 KDM4E (0.52) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL1911864 0.78 POLB (0.52) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL12588525 0.76 NNMT (0.44) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL18315101 0.76 CYP1A2 (0.44) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL12093130 0.76 NNMT (0.48) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL18774086 0.76 NNMT (0.48) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL586103 0.76 NNMT (0.53) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL1461146 0.76 NNMT (0.48) NNMTCYP1A2KMT2APDE10APOLB
SCHEMBL13865700 0.76 NNMT (0.48) NNMTCYP1A2KMT2APDE10APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020156-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-25 WO disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
WO-2023114954-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2023-06-22 WO disclosed
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 US disclosed
EP-3423454-B1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-05-25 EP disclosed
US-20220106315-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-04-07 US disclosed
US-11236092-B2 Spiro-condensed pyrrolidine derivatives as deubiquitylating enzymes (DUB) inhibitors MISSION THERAPEUTICS LIMITED (GB) 2022-02-01 US disclosed
WO-2021183762-A1 IMMUNOMODULATING O-HET-ARYL AZALIDES ZOETIS SERVICES LLC (US) 2021-09-16 WO disclosed
US-11091485-B2 Imidazo[1′,2′:1,6]pyrido[2,3-d]pyrimidine compound as protein kinase inhibitor SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) 2021-08-17 US disclosed
EP-3416962-B1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS SANOFI SA (FR) 2021-05-05 EP disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 US disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 US disclosed
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 WO disclosed
US-20110306624-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US 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 (9 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB NNMT 1747/4885CYP1A2 905/4885KMT2A 544/4885
US-20220106315-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS OTUB1, UBE2E1, RCE1 NNMT 710/4885CYP1A2 1843/4885KMT2A 1025/4885
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof VAPB, VAPA, ADRA1D NNMT 2450/4885CYP1A2 1977/4885KMT2A 4419/4885
US-11091485-B2 Imidazo[1′,2′:1,6]pyrido[2,3-d]pyrimidine compound as protein kinase inhibitor CDK2, CDK4, CDK6 NNMT 1426/4885CYP1A2 2415/4885KMT2A 798/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 NNMT 3598/4885CYP1A2 1888/4885KMT2A 3734/4885
US-20110306624-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 NNMT 2953/4885CYP1A2 1996/4885KMT2A 4294/4885
US-11236092-B2 Spiro-condensed pyrrolidine derivatives as deubiquitylating enzymes (DUB) inhibitors OTUB1, UBE2E1, RCE1 NNMT 710/4885CYP1A2 1843/4885KMT2A 1025/4885
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A NNMT 2708/4885CYP1A2 2805/4885KMT2A 2097/4885
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS KCNJ2, KCNJ1, KCNJ11 NNMT 2515/4885CYP1A2 1023/4885KMT2A 1719/4885

“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.