SCHEMBL972892

SCHEMBL972892

CN(C(=O)C#Cc1ccccc1)C1CCCN(c2nccs2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.39
SLC6A7 Q99884 1/20 0.39
PRKDC P78527 1/20 0.38
BTK Q06187 4/20 0.37
SCD O00767 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
VCP P55072 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL974258 0.94 DRD2 (0.48) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL972821 0.93 DRD2 (0.48) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL973952 0.90 DRD2 (0.44) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL973007 0.89 PRKDC (0.40) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4701169 0.88 DRD2 (0.53) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL972450 0.78 GRM5 (0.39) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL972911 0.78 BTK (0.49) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL8228122 0.76 HSD17B10 (0.51) HSD17B10SLC6A7BTKSCDHPGD
SCHEMBL8229258 0.74 PPARA (0.46) PRKDCBTKL3MBTL1ALDH1A1MAPT
SCHEMBL3150861 0.73 SLC6A7 (0.43) HSD17B10SLC6A7SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO 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 (1 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 DRD2 2020/4885HTR2A 1261/4885HTR2C 1014/4885

“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.