SCHEMBL3676771

SCHEMBL3676771

O=C(c1ccc(CBr)cc1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR2A P28223 6/20 0.46
HTR2C P28335 4/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 2/20 0.46
HRH3 Q9Y5N1 2/20 0.44
SRD5A2 P31213 1/20 0.44
HTR2B P41595 2/20 0.44
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.41

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
SCHEMBL506517 0.91 SRD5A2 (0.57) CES2CES1RAB9AHTR2AHTR2C
SCHEMBL27458452 0.85 HTR2A (0.51) NPC1RAB9AHTR2AHTR2CHTR7
SCHEMBL19754954 0.83 KMT2A (0.53) NPC1RAB9AHTR2AHTR2CHTR7
SCHEMBL3678830 0.80 MGLL (0.56) NPC1RAB9AHTR2AHTR2CHTR7
SCHEMBL14156622 0.80 CA1 (0.53) NPC1RAB9AHTR2AHTR2CHTR7
SCHEMBL7498931 0.80 HDAC3 (0.50) NPC1RAB9AHTR2AHTR2CHTR7
SCHEMBL2763119 0.78 KMT2A (0.56) NPC1RAB9AHTR2AHTR2CHTR7
SCHEMBL31719066 0.78 HTR2A (0.44) CES2CES1HTR2AHTR2CHTR2B
SCHEMBL3681499 0.77 CA2 (0.52) NPC1RAB9AHTR2AHTR2CHTR7
SCHEMBL13084751 0.77 NPC1 (0.49) NPC1RAB9AHTR2AHTR2CHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3585775-B1 AZETIDINE COMPOUNDS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI SA (FR) 2022-04-06 EP disclosed
US-10392366-B2 Azetidine compounds as GPR119 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2019-08-27 US disclosed
WO-2018153849-A1 AZETIDINE COMPOUNDS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI (FR) 2018-08-30 WO disclosed
US-20180237419-A1 AZETIDINE COMPOUNDS AS GRP119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI (FR) 2018-08-23 US disclosed
US-20170369440-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(CYCLOPROPANECARBONYL)PHENYL]-2-METHYL-PROPANENITRILE EUROAPI GERMANY GMBH (DE) 2017-12-28 US disclosed
WO-2016116555-A1 Process for the production of 2-[4-(cyclopropanecarbonyl)phenyl]-2-methyl-propanenitrile SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2016-07-28 WO disclosed
EP-2261208-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-1953142-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives Aventis Inc. (US) 2008-08-06 EP disclosed
EP-1446385-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2004-08-18 EP disclosed
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-01-17 US disclosed
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2001-10-18 US disclosed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 US disclosed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 US disclosed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 US disclosed
US-6242606-B1 REACTING A A,A-DIMETHYLPHENYLACETIC ACID AMIDE WITH A W-HALO COMPOUND PRODUCES W'-HALO-A-KETO-A,A-DIMETHYLPHENYLACETIC ACID AMIDE AND REACTING IT WITH A PIPERIDINE COMPOUND; 2-(4-(4-CHLORO-BUTYRYL)-PHENYL)-2-METHY-PROPIONIC ACID MERRELL PHARMACEUTICALS INC. 2001-06-05 US disclosed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 US disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 US disclosed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP disclosed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 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 (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-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CES2 1120/4885CES1 497/4885NPC1 2412/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CES2 1758/4885CES1 512/4885NPC1 2390/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CES2 1027/4885CES1 437/4885NPC1 1689/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 CES2 900/4885CES1 388/4885NPC1 1692/4885
US-10392366-B2 Azetidine compounds as GPR119 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders GPR119, GPR39, GPR139 CES2 1718/4885CES1 389/4885NPC1 137/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CES2 1053/4885CES1 425/4885NPC1 2104/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 CES2 934/4885CES1 417/4885NPC1 1740/4885
US-20180237419-A1 AZETIDINE COMPOUNDS AS GRP119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS GPR119, GIPR, GPR39 CES2 2344/4885CES1 796/4885NPC1 208/4885
US-20170369440-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(CYCLOPROPANECARBONYL)PHENYL]-2-METHYL-PROPANENITRILE CYP4B1, CYP3A4, CYP4F2 CES2 1301/4885CES1 2081/4885NPC1 3720/4885

“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.