SCHEMBL927683

SCHEMBL927683

O=C(O)c1ccc(OCC2CC2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.68
PARP15 Q460N3 4/20 0.68
SCN9A Q15858 2/20 0.56
FFAR4 Q5NUL3 1/20 0.51
FFAR1 O14842 4/20 0.51
PPARD Q03181 4/20 0.51
PARP2 Q9UGN5 1/20 0.49
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
MAOB P27338 1/20 0.46
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL926764 0.85 PARP10 (0.51) PARP10PARP15SCN9AFFAR1PPARD
SCHEMBL22286235 0.84 PARP10 (0.64) PARP10PARP15SCN9AFFAR4FFAR1
SCHEMBL1856415 0.84 PARP10 (0.64) PARP10PARP15SCN9AFFAR4FFAR1
SCHEMBL29051180 0.83 PARP10 (0.52) PARP10PARP15SCN9AFFAR1RARA
SCHEMBL29051173 0.83 PARP10 (0.52) PARP10PARP15SCN9AFFAR1RARA
SCHEMBL29051172 0.83 PARP10 (0.52) PARP10PARP15SCN9AFFAR1RARA
SCHEMBL29051124 0.82 ALDH1A1 (0.51) PARP10PARP15SCN9AFFAR1RARA
SCHEMBL29051126 0.82 ALDH1A1 (0.51) PARP10PARP15SCN9AFFAR1RARA
SCHEMBL927718 0.82 PARP10 (0.61) PARP10PARP15SCN9AFFAR4FFAR1
SCHEMBL15969380 0.82 PARP10 (0.50) PARP10PARP15PARP2KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
CN-103998432-A Bicyclic compounds TAKEDA PHARMACEUTICAL 2014-08-20 CN disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
US-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US disclosed
US-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US disclosed
US-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US disclosed
EP-2261213-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
WO-2009123194-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-08 WO disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB PARP10 3035/4885PARP15 2382/4885SCN9A 3224/4885
US-20060128690-A1 Amine derivative MC1R, MC2R, MC4R PARP10 1776/4885PARP15 2724/4885SCN9A 3914/4885
US-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 PARP10 3280/4885PARP15 1936/4885SCN9A 1166/4885
US-20110015225-A1 Heterocyclic compound MC1R, MCHR1, MCHR2 PARP10 4541/4885PARP15 4553/4885SCN9A 2653/4885

“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.