SCHEMBL1003372

SCHEMBL1003372

N#CC1(c2ccc(Cl)cc2)CC(O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
MAP4K4 O95819 1/20 0.38
OPRL1 P41146 1/20 0.38
CCR1 P32246 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR2 P41597 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SCD O00767 1/20 0.33

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
SCHEMBL12020612 1.00 OPRM1 (0.50) OPRM1MAOAMAOBKDM1AMAP4K4
SCHEMBL25384668 0.81 OPRM1 (0.54) OPRM1MAOAMAOBKDM1AMAP4K4
SCHEMBL12020410 0.81 OPRM1 (0.50) OPRM1MAOAMAOBKDM1AMAP4K4
SCHEMBL25383049 0.81 OPRM1 (0.50) OPRM1MAOAMAOBKDM1AMAP4K4
SCHEMBL17985304 0.81 MAOB (0.41) MAOAMAOBCCR2PDE4APDE4B
SCHEMBL1557855 0.81 MAOB (0.41) MAOAMAOBCCR2PDE4APDE4B
SCHEMBL25382786 0.81 WDR5 (0.35) OPRM1OPRL1PDE4APDE4BPDE4C
SCHEMBL8097375 0.81 OPRL1 (0.46) OPRM1MAOAMAOBOPRL1KMT2A
SCHEMBL25382251 0.81 OPRM1 (0.46) OPRM1MAOAMAOBKDM1AMAP4K4
SCHEMBL14894636 0.81 SLC6A3 (0.55) OPRM1CCR2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS HOFFMANN-LA ROCHE INC. (US) 2025-12-25 US disclosed
EP-4486444-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. Hoffmann-La Roche AG (CH) 2025-01-08 EP disclosed
CN-118871422-A 3-Alkynyl carboxamides as AEP modulators 豪夫迈·罗氏有限公司 2024-10-29 CN disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
EP-1532122-B1 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
US-7875642-B2 3-[1-(4-Chlorophenyl)-trans-3-fluorocyclobutyl]-4,5-dicyclopropyl-r-4H-1,2,4-triazole anhydrate; Type 2 diabetes, hyperglycemia, obesity, dyslipidemia, hypertension, and cognitive impairment MERCK SHARP & DOHME CORP. (US) 2011-01-25 US disclosed
US-7875642-B2 3-[1-(4-Chlorophenyl)-trans-3-fluorocyclobutyl]-4,5-dicyclopropyl-r-4H-1,2,4-triazole anhydrate; Type 2 diabetes, hyperglycemia, obesity, dyslipidemia, hypertension, and cognitive impairment MERCK SHARP & DOHME CORP. (US) 2011-01-25 US disclosed
US-7875642-B2 3-[1-(4-Chlorophenyl)-trans-3-fluorocyclobutyl]-4,5-dicyclopropyl-r-4H-1,2,4-triazole anhydrate; Type 2 diabetes, hyperglycemia, obesity, dyslipidemia, hypertension, and cognitive impairment MERCK SHARP & DOHME CORP. (US) 2011-01-25 US disclosed
US-20090186928-A1 Novel crystalline forms of an inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 MERCK SHARP & DOHME LLC 2009-07-23 US disclosed
US-20090186928-A1 Novel crystalline forms of an inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 MERCK SHARP & DOHME LLC 2009-07-23 US disclosed
WO-2005073200-A1 NOVEL CRYSTALLINE FORMS OF AN INHIBITOR OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 MERCK & CO., INC. (US) 2005-08-11 WO disclosed
EP-1532122-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA Merck & Co., Inc. (US) 2005-05-25 EP disclosed
US-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME LLC 2004-06-03 US disclosed
US-6730690-B2 DELAYING THE ONSET OR REDUCING THE RISK OF DEVELOPING ATHEROSCLEROSIS IN A HUMAN PATIENT COMPRISING ADMINISTERING TO SAID PATIENT AN EFFECTIVE AMOUNT OF A COMPOUND OF INVENTION AND AN HMG-COA REDUCTASE INHIBITOR MERCK & CO., INC. 2004-05-04 US disclosed
US-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK SHARP & DOHME LLC 2004-03-11 US disclosed
WO-2003104208-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 WO disclosed
WO-2003104207-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 WO disclosed
EP-1353896-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF HYDROXYLATED CYCLOBUTYLALKYLAMINES Sepracor Inc. (US) 2003-10-22 EP disclosed
US-20020115727-A1 Synthesis, methods of using, and compositions of hydroxylated cyclobutylalkylamines SEPRACOR INC. 2002-08-22 US disclosed
WO-2002046138-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF HYDROXYLATED CYCLOBUTYLALKYLAMINES SEPRACOR INC. (US) 2002-06-13 WO 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 (5 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-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA HSD11B1, HSD17B1, HSD11B2 OPRM1 1495/4885MAOA 2126/4885MAOB 1944/4885
US-20020115727-A1 Synthesis, methods of using, and compositions of hydroxylated cyclobutylalkylamines HTR5A, TPH1, HTR1B OPRM1 73/4885MAOA 19/4885MAOB 22/4885
US-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD11B2, HSD17B1 OPRM1 1569/4885MAOA 2512/4885MAOB 1627/4885
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS CNR2, CNR1, FAAH2 OPRM1 6/4885MAOA 1163/4885MAOB 1252/4885
US-20090186928-A1 Novel crystalline forms of an inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD11B2 OPRM1 3625/4885MAOA 1817/4885MAOB 1857/4885

“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.