SCHEMBL8137336

SCHEMBL8137336

COc1ccccc1-c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
FYN P06241 1/20 0.59
MKNK1 Q9BUB5 2/20 0.57
MKNK2 Q9HBH9 2/20 0.57
CYP11B1 P15538 4/20 0.56
CYP11B2 P19099 4/20 0.56
CYP17A1 P05093 2/20 0.56
CYP19A1 P11511 1/20 0.56
PDE10A Q9Y233 1/20 0.54
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 3/20 0.52
CYP1A2 P05177 2/20 0.52
USP2 O75604 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51

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
Methyl Alcohol SCHEMBL11023364 0.85 ADRA2A (0.51) POLBFYNMKNK1MKNK2CYP11B1
SCHEMBL28018862 0.85 CYP11B1 (0.56) POLBFYNMKNK1MKNK2CYP11B1
SCHEMBL30606777 0.84 POLB (0.52) POLBFYNMKNK1MKNK2CYP11B1
SCHEMBL5457794 0.84 POLB (0.55) POLBFYNMKNK1MKNK2CYP11B1
SCHEMBL23515364 0.82 CYP11B1 (0.50) POLBFYNMKNK1MKNK2CYP11B1
SCHEMBL29625759 0.82 CYP11B1 (0.50) POLBFYNMKNK1MKNK2CYP11B1
SCHEMBL31663902 0.82 MKNK1 (0.62) POLBMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL8057350 0.81 KDM4E (0.67) POLBALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL8054297 0.81 KDM4E (0.56) POLBFYNALDH1A1CYP3A4CYP1A2
SCHEMBL6754272 0.81 CYP1A2 (0.54) POLBALDH1A1CYP3A4CYP1A2CYP2D6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160745-B2 Piperidine and azepine derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-12-25 US disclosed
CN-108290838-A Biaryl derivatives and drugs containing the same 科研制药株式会社 2018-07-17 CN disclosed
US-20180009780-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-11 US disclosed
EP-3030553-B1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-03 EP disclosed
CN-105452233-B Piperidine and azepane derivatives as prokineticin receptor modulators 武田药品工业株式会社 2017-12-08 CN disclosed
US-9790201-B2 Piperidine and azepine derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-17 US disclosed
US-20160185752-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-30 US disclosed
EP-3030553-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
WO-2015019103-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2015-02-12 WO disclosed
CN-101801931-B Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors ALMIRALL SA 2014-05-14 CN disclosed
CN-100439337-C Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2008-12-03 CN disclosed
CN-1717389-A Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2006-01-04 CN disclosed
EP-1037876-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS Novartis AG (CH) 2000-09-27 EP disclosed
WO-1999023073-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS NOVARTIS AG (CH) 1999-05-14 WO disclosed
EP-0148826-A1 FUNGICIDAL, HERBICIDAL AND PLANT GROWTH REGULATING PYRIDYL-CONTAINING ETHERS CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1985-07-24 EP disclosed
WO-1985000289-A1 FUNGICIDAL, HERBICIDAL AND PLANT GROWTH REGULATING PYRIDYL-CONTAINING ETHERS CHEVRON RESEARCH COMPANY (US) 1985-01-31 WO disclosed
US-4407806-A PRE- AND POSTEMERGENCE HERBICIDES CHEVRON RESEARCH COMPANY (US) 1983-10-04 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 (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-10160745-B2 Piperidine and azepine derivatives as prokineticin receptor modulators GIPR, PROKR1, PROKR2 POLB 4358/4885FYN 4436/4885MKNK1 1035/4885
US-20160185752-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS GIPR, PROKR1, PROKR2 POLB 4345/4885FYN 4410/4885MKNK1 1048/4885
US-20180009780-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS GIPR, PROKR1, PROKR2 POLB 4358/4885FYN 4436/4885MKNK1 1035/4885

“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.