SCHEMBL350342

SCHEMBL350342

ClNC(Cl)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
GRM7 Q14831 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR2A P28223 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.36
SRC P12931 1/20 0.36
HRH1 P35367 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL29263811 0.82 TSHR (0.55) TSHRDPP4F2MTORRAB9A
SCHEMBL9055653 0.78 TSHR (0.50) TSHRDPP4F2MTORRAB9A
SCHEMBL6919378 0.78 TSHR (0.50) TSHRDPP4F2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL10521667 0.76 KMT2A (0.48) TSHRCYP3A4ALOX15HTR2ALMNA
SCHEMBL7742182 0.73
SCHEMBL12648940 0.73 MTOR (0.55) TSHRDPP4F2MTORRAB9A
SCHEMBL1255011 0.72 LMNA (0.48) TSHRLMNAHPGDCYP2D6SRC
SCHEMBL9691224 0.72 TSHR (0.44) TSHRDPP4F2MTORRAB9A
SCHEMBL5675447 0.72 TSHR (0.44) TSHRDPP4F2MTORRAB9A
SCHEMBL5675448 0.72 EPHX1 (0.45) TSHRDPP4F2MTORRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776991-B2 Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase SANOFI (FR) 2017-10-03 US disclosed
US-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2016-11-10 US disclosed
EP-3077380-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE Sanofi (FR) 2016-10-12 EP disclosed
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US disclosed
WO-2015082474-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2015-06-11 WO disclosed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US disclosed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
EP-2414346-A1 AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 WO disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US disclosed
US-7417027-B2 Linear and cyclic melanocortin receptor-specific peptides PALATIN TECHNOLOGIES, INC. (US) 2008-08-26 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
US-20050038230-A1 Linear and cyclic melanocortin receptor-specific peptides PALATIN TECHNOLOGIES, INC. (US) 2005-02-17 US disclosed
US-4002460-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1977-01-11 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 (8 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC TSHR 3698/4885DPP4 5/4885F2 3975/4885
US-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 TSHR 1865/4885DPP4 1883/4885F2 462/4885
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 TSHR 444/4885DPP4 1268/4885F2 3212/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 TSHR 3666/4885DPP4 1738/4885F2 2828/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 TSHR 3666/4885DPP4 1738/4885F2 2828/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 TSHR 1865/4885DPP4 1883/4885F2 462/4885
US-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, LTA4H TSHR 1657/4885DPP4 534/4885F2 13/4885
US-20050038230-A1 Linear and cyclic melanocortin receptor-specific peptides MC1R, MC3R, MC5R TSHR 79/4885DPP4 1985/4885F2 2904/4885

“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.