SCHEMBL2790749

SCHEMBL2790749

Cc1ccc(Br)c(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 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
SCHEMBL7862638 0.83 MEN1 (0.46) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL16011491 0.83 FFAR4 (0.40) AMY1AFFAR4TAAR1TRPA1ALDH1A1
SCHEMBL30360666 0.83 FFAR4 (0.40) AMY1AFFAR4TAAR1TRPA1ALDH1A1
SCHEMBL29386482 0.82 NPC1 (0.38) AMY1ATRPA1ALDH1A1MAPTLMNA
SCHEMBL1588133 0.82 NPC1 (0.38) AMY1ATRPA1ALDH1A1MAPTLMNA
SCHEMBL30806439 0.79 TAAR1 (0.39) AMY1AFFAR4TAAR1TRPA1ALDH1A1
SCHEMBL4882598 0.79 GABRA1 (0.41) AMY1AFFAR4TAAR1ALDH1A1MAPT
SCHEMBL2291344 0.79 TAAR1 (0.39) AMY1AFFAR4TAAR1TRPA1ALDH1A1
SCHEMBL233241 0.78 AMY1A (0.43) AMY1ATAAR1TRPA1ALDH1A1CYP1A2
SCHEMBL30150898 0.78 AMY1A (0.43) AMY1ATAAR1TRPA1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827616-B2 Heterocyclic compounds as pesticides DISCOVERY PURCHASER CORPORATION (US) 2023-11-28 US disclosed
EP-3862003-B1 AN SGLT-2 INHIBITOR FOR USE IN THE TREATMENT OF A METABOLIC DISORDER IN FELINE ANIMALS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-10-25 EP disclosed
EP-4245765-A2 TREATMENT OF METABOLIC DISORDERS IN EQUINE ANIMALS Boehringer Ingelheim Vetmedica GmbH (DE) 2023-09-20 EP disclosed
EP-4234012-A2 SGLT2 INHIBITORS FOR TREATMENT OF METABOLIC DISORDERS IN CANINE ANIMALS Boehringer Ingelheim Vetmedica GmbH (DE) 2023-08-30 EP disclosed
EP-2981269-B1 TREATMENT OF METABOLIC DISORDERS IN EQUINE ANIMALS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-08-09 EP disclosed
EP-3485890-B1 SGLT2 INHIBITORS FOR TREATMENT OF METABOLIC DISORDERS IN CANINE ANIMALS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-05-10 EP disclosed
EP-4166548-A1 CRYSTALLINE MONOHYDRATE COMPLEX OF 1-CYANO-2-(4-CYCLOPROPYL-BENZYL)-4-(BETA-D-GLUCOPYRANOS-1-YL)-BENZENE AND L-PROLINE IN CRYSTAL WATER (1:1:1) Boehringer Ingelheim Vetmedica GmbH (DE) 2023-04-19 EP disclosed
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
WO-2021143924-A1 BORIC ACID DERIVATIVE 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
EP-3082829-B1 SGLT2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS IN FELINE ANIMALS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2021-02-17 EP disclosed
US-8263607-B2 1-substituted tetrahydroisoquinoline compound ASTELLAS PHARMA INC. (JP) 2012-09-11 US disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-21 US disclosed
US-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
EP-2149560-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2010-02-03 EP disclosed
WO-2007128749-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-15 WO disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
WO-2007093610-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 WO disclosed
US-3985889-A 1,3-DIHYDROSPIRO(ISOBENZOFURAN); ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-10-12 US disclosed
US-3962259-A TRANQUILIZERS, ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-06-08 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 (4 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-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS CETP, MTTP, APOB AMY1A 2903/4885FFAR4 2333/4885TAAR1 3197/4885
US-11827616-B2 Heterocyclic compounds as pesticides DDT, CHRM1, ACHE AMY1A 427/4885FFAR4 3362/4885TAAR1 366/4885
US-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND CACNA1S, CACNA1E, CACNA1B AMY1A 2776/4885FFAR4 1066/4885TAAR1 794/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA AMY1A 364/4885FFAR4 4427/4885TAAR1 4385/4885

“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.