SCHEMBL310301

SCHEMBL310301

[CH2]c1ccc(F)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CYP11B2 P19099 3/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ AR P10275 1/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ USP8 P40818 1/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ USP47 Q96K76 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ FFAR1 O14842 1/20 0.32

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
SCHEMBL2639674 0.82 TRPV4 (0.42) TRPV4MAOAMAOBCYP11B2CYP11B1
Ethylene SCHEMBL27960950 0.79 MAOB (0.50) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL573864 0.78 MAOB (0.53) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL3227308 0.77 AHR (0.30) ALDH1A1CYP1A2
SCHEMBL74807 0.76 TRPV4 (0.46) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL4824074 0.76 TRPV4 (0.31) TRPV4
SCHEMBL21116203 0.76 USP8 (0.42) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL16957602 0.76 MAOA (0.43) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL1311361 0.74 IMPDH2 (0.41) ALDH1A1CLK4
SCHEMBL101523 0.73 TSHR (0.48) TRPV4MAOAMAOBCYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909198-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2020-10-14 — — EP claimed
EP-2909197-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2020-03-04 — — EP claimed
CN-104870442-B bicyclic heterocyclic compounds and their therapeutic use 阿斯特克斯治疗有限公司 2018-10-19 — — CN claimed
US-9980973-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2018-05-29 — — US claimed
EP-2119717-B1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-01-17 — — EP claimed
US-20170224705-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2017-08-10 — — US claimed
US-9663512-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2017-05-30 — — US claimed
US-20150266873-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2015-09-24 — — US claimed
EP-2909197-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Ltd. (GB) 2015-08-26 — — EP claimed
EP-2909198-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Limited (GB) 2015-08-26 — — EP claimed
EP-1411940-A1 BRIDGED PIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-04-28 — — EP claimed
WO-2004024720-A1 PIPERAZINE UREA DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2004-03-25 — — WO claimed
JP-2003528088-A — — 2003-09-24 — — JP claimed
WO-2003007949-A1 BRIDGED PIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-01-30 — — WO claimed
EP-1268449-A1 SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS Merck & Co., Inc. (US) 2003-01-02 — — EP claimed
US-6458790-B2 DIETETICS; ANTIDABETIC AGENTS; SEXUAL DISRDERS MERCK & CO., INC. 2002-10-01 — — US claimed
US-20020019523-A1 Substituted piperidines as melanocortin receptor agonists MERCK SHARP & DOHME CORP. 2002-02-14 — — US claimed
WO-2001070708-A1 SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO., INC. (US) 2001-09-27 — — WO claimed
CN-1024316-C Imidazole fungicides SCHERING AGROCHEMICALS LTD (GB) 1994-04-27 — — CN claimed
CN-1051729-A IMIDAZOLE FUNGICIDES SCHERING AGROCHEMICALS LTD (GB) 1991-05-29 — — CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150266873-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY PC, BAD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TRPV4 2761/4885MAOA 1102/4885MAOB 489/4885
US-20170224705-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY PC, BAD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TRPV4 2761/4885MAOA 1102/4885MAOB 489/4885
US-20020019523-A1 Substituted piperidines as melanocortin receptor agonists MC4R, MC5R, MC3R TRPV4 125/4885MAOA 1819/4885MAOB 2009/4885

“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.

Send feedback