SCHEMBL315559

SCHEMBL315559

C[C](C)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
LMNA P02545 4/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL1552000 0.83 ESR1 (0.38) CES2CES1LMNATSHRL3MBTL1
SCHEMBL6002650 0.81 CES2 (0.52) CES2CES1LMNATSHRMAPK1
SCHEMBL6448217 0.79 TSHR (0.55) CES2CES1LMNATSHRMAPK1
SCHEMBL7555313 0.79 TSHR (0.55) CES2CES1LMNATSHRMAPK1
SCHEMBL11608886 0.77 CES2 (0.48) CES2CES1LMNATSHRMAPK1
SCHEMBL7959261 0.77 CES2 (0.48) CES2CES1LMNATSHRMAPK1
SCHEMBL28879993 0.77 ALDH1A1 (0.48) CES2CES1LMNATSHRMAPK1
SCHEMBL75640 0.77 MAPT (0.69) CES2CES1LMNATSHRMAPK1
SCHEMBL17187946 0.77 MAPT (0.69) CES2CES1LMNATSHRMAPK1
SCHEMBL190531 0.77 CES2 (0.50) CES2CES1LMNATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN claimed
CN-101490002-A 3-oxoisoindoline-1-carboxamide derivatives as analgesic agents ASTRAZENECA AB (SE) 2009-07-22 CN claimed
EP-1802293-A4 ORALLY EFFECTIVE CANNABINOID ANALOGS PHARMOS CORP (US) 2009-04-29 EP claimed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US claimed
WO-2006043260-A2 ORALLY EFFECTIVE CANNABINOID ANALOGS PHARMOS CORPORATION (US) 2006-04-27 WO claimed
EP-1469842-A4 BICYCLIC CB2 CANNABINOID RECEPTOR LIGANDS PHARMOS CORP (US) 2006-04-26 EP claimed
JP-2005523259-A 2005-08-04 JP claimed
US-20050020544-A1 Bicyclic CB2 cannabinoid receptor ligands PHARMOS CORPORATION 2005-01-27 US claimed
EP-1469842-A2 BICYCLIC CB2 CANNABINOID RECEPTOR LIGANDS PHARMOS CORPORATION (US) 2004-10-27 EP claimed
WO-2003063758-A2 BICYCLIC CB2 CANNABINOID RECEPTOR LIGANDS PHARMOS CORPORATION (US) 2003-08-07 WO claimed
EP-0190096-B1 PROCESS FOR THE PROTECTION OF KERATIN-CONTAINING MATERIAL AGAINST ATTACK BY KERATIN PESTS, AND ESTERS CIBA-GEIGY AG (CH) 1989-08-16 EP claimed
EP-0125093-A1 Diaz(ep)ine bis(N-amidinoamidine) derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP 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 (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-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R CES2 2729/4885CES1 4115/4885LMNA 3057/4885
US-20050020544-A1 Bicyclic CB2 cannabinoid receptor ligands CNR1, CNR2, CHRNE CES2 960/4885CES1 404/4885LMNA 721/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K CES2 4081/4885CES1 2173/4885LMNA 1573/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 CES2 1721/4885CES1 2196/4885LMNA 461/4885

“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.