SCHEMBL905316

SCHEMBL905316

CC1(C)C=CC=CC1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL9367097 0.84
SCHEMBL38660196 0.82 LMNA (0.32)
SCHEMBL10706424 0.82 CYP1A2 (0.33) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8568766 0.81 ALDH1A1 (0.30)
SCHEMBL27671098 0.80
SCHEMBL27993329 0.78 MGAM (0.36) CYP1A2
SCHEMBL31512459 0.77
SCHEMBL28615436 0.77
SCHEMBL6471572 0.76 HSD11B1 (0.31)
SCHEMBL9815333 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61115090-A None JP disclosed
CN-110872235-A Application of novel methyl carbonate methylation catalyst in preparation of α -methylphenylacetic acid 江苏瑞科医药科技有限公司 2020-03-10 CN disclosed
CN-110872237-A Application of novel methyl carbonate methylation catalyst in preparation of α -methylphenylacetic acid 江苏瑞科医药科技有限公司 2020-03-10 CN disclosed
EP-1581476-B1 AMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-16 EP disclosed
EP-2995615-A1 CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2016-03-16 EP disclosed
CN-104276952-B The preparation method of bilastine key intermediate NANJING HUAWE MEDICAL SCIENCE & TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2016-03-02 CN disclosed
EP-2272825-B1 Protected amino hydroxy adamantane carboxylic acid and process for its preparation ASTRAZENECA AB (SE) 2015-11-04 EP disclosed
CN-104276952-A Preparation method of bilastine key intermediate NANJING HUAWE MEDICAL TECHNOLOGY DEV CO LTD 2015-01-14 CN disclosed
EP-1559710-B1 Dipeptidyl peptidase IV inhibitors based on cyclopropyl-fused pyrrolidine, process for their preparation and their use BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-RE44186-E1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
WO-2004056744-A1 ADAMANTYL ACETAMIDES AS HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 WO disclosed
WO-2004056745-A2 ADAMANTYL ACETAMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 WO disclosed
CN-1427826-A Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV, methods for their preparation and uses thereof BRISTOL MYERS SQUIBB CO (US) 2003-07-02 CN disclosed
EP-1261586-A2 CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV, PROCESSES FOR THEIR PREPARATION, AND THEIR USE Bristol-Myers Squibb Company (US) 2002-12-04 EP disclosed
US-6395767-B2 ANTIDIABETIC AGENTS; SAXAGLIPTIN BRISTOL-MYERS SQUIBB COMPANY 2002-05-28 US disclosed
US-20020019411-A1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method ASTRAZENECA AB (SE) 2002-02-14 US disclosed
WO-2001068603-A2 CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL IV, PROCESSES FOR THEIR PREPARATION, AND THEIR USE BRISTOL-MYERS SQUIBB CO. (US) 2001-09-20 WO disclosed
EP-0346791-B1 1,2-diarylethylamines for treatment of neurotoxic injury SEARLE & CO (US) 1994-04-06 EP disclosed
EP-0346791-A1 1,2-diarylethylamines for treatment of neurotoxic injury G.D. Searle & Co. (US) 1989-12-20 EP disclosed
JP-S61115090-A TRICYCLOHEXYLTIN CARBOXYLIC ACID ESTER, PRODUCTION THEREOF, AND ACARICIDE COMPRISING SAME AS ACTIVE INGREDIENT KYODO YAKUHIN KK 1986-06-02 JP 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 (1 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-20020019411-A1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method DPP4, DPP3, DPP7 CYP1A2 768/4885CYP2D6 325/4885CYP2C9 406/4885

“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.