SCHEMBL2737290

SCHEMBL2737290

CC(C)c1ccc(C#N)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CYP19A1 P11511 1/20 0.40
PANK3 Q9H999 5/20 0.38
CYP2A6 P11509 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
S1PR3 Q99500 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
KDM1A O60341 1/20 0.35
HSD11B1 P28845 1/20 0.35
HPGDS O60760 1/20 0.34
GRM5 P41594 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL22481395 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP19A1PANK3
SCHEMBL20447636 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP19A1PANK3
SCHEMBL22538435 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP19A1PANK3
SCHEMBL15486717 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP19A1PANK3
SCHEMBL20447635 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP19A1PANK3
SCHEMBL29872319 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP19A1PANK3
SCHEMBL19574036 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP19A1PANK3
SCHEMBL18175040 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CYP19A1PANK3
SCHEMBL16311933 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1CYP19A1PANK3
SCHEMBL2738306 0.79 HDAC8 (0.33) EGLN2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
US-12024507-B2 Compounds as GLP-1R agonists TERNS PHARMACEUTICALS, INC. (US) 2024-07-02 US disclosed
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-20100022596-A1 EPOTHILONE ANALOGUES ALTMANN KARL-HEINZ 2010-01-28 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
WO-2007087488-A2 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-02 WO disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 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 (12 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 ALDH1A1 3312/4885KDM4E 3316/4885L3MBTL1 3638/4885
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists NR3C1, NR3C2, MC2R ALDH1A1 2702/4885KDM4E 3007/4885L3MBTL1 4835/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 ALDH1A1 1722/4885KDM4E 2261/4885L3MBTL1 1436/4885
US-20230364082-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 ALDH1A1 1394/4885KDM4E 2921/4885L3MBTL1 1260/4885
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 ALDH1A1 1070/4885KDM4E 571/4885L3MBTL1 4413/4885
US-12024507-B2 Compounds as GLP-1R agonists GLP1R, GIPR, GCGR ALDH1A1 3182/4885KDM4E 4310/4885L3MBTL1 3812/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 ALDH1A1 4067/4885KDM4E 2474/4885L3MBTL1 1194/4885
US-20100022596-A1 EPOTHILONE ANALOGUES EPOR, CYP11B2, DHPS ALDH1A1 367/4885KDM4E 3780/4885L3MBTL1 1099/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 ALDH1A1 342/4885KDM4E 1169/4885L3MBTL1 3654/4885
US-20070249629-A1 Viral Polymerase Inhibitors RPP30, POLR2A, POLR1E ALDH1A1 2153/4885KDM4E 2958/4885L3MBTL1 1417/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 ALDH1A1 1171/4885KDM4E 958/4885L3MBTL1 3326/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ALDH1A1 1619/4885KDM4E 4307/4885L3MBTL1 4743/4885

“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.