SCHEMBL4703399

SCHEMBL4703399

Cc1csc(N2CCC(NC(=O)C#Cc3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.44
GRM5 P41594 6/20 0.44
EPHX2 P34913 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
PHGDH O43175 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL974382 0.95 GRM5 (0.42) PCSK9GRM5EPHX2KMT2AMEN1
SCHEMBL4701765 0.89 EPHX2 (0.40) PCSK9EPHX2PHGDH
SCHEMBL4701134 0.88 GRM5 (0.41) GRM5
SCHEMBL4698213 0.88 DRD2 (0.40) GRM5USP2SMN1; SMN2
SCHEMBL974418 0.86 GRM5 (0.39) PCSK9GRM5EPHX2KMT2AMEN1
SCHEMBL4703857 0.86 DRD2 (0.49) GRM5USP2SMN1; SMN2
SCHEMBL4705139 0.85 GRM5 (0.43) GRM5KMT2AMEN1ALDH1A1TSHR
SCHEMBL973987 0.84 SMPD3 (0.43) EPHX2KMT2A
SCHEMBL973224 0.83 GRM5 (0.40) GRM5
SCHEMBL973019 0.83 BTK (0.38) GRM5USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318774-B2 N-(3-((thiazol-2-yl)amino)propyl)-3-phenylpropiolamide, 4-(thiazol-2-yl-amino)-1-(3-phenyl-propiolyl)piperidine, for example; for preventing or treating a disorder or disease that is mediated at least in part by mGluR26 receptors, such as pain, migraines, depression, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-11-27 US claimed
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2008-10-30 US claimed
US-8318774-B2 N-(3-((thiazol-2-yl)amino)propyl)-3-phenylpropiolamide, 4-(thiazol-2-yl-amino)-1-(3-phenyl-propiolyl)piperidine, for example; for preventing or treating a disorder or disease that is mediated at least in part by mGluR26 receptors, such as pain, migraines, depression, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-11-27 US disclosed
US-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2008-10-30 US disclosed
EP-1968958-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079961-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-20080269295-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, ABCB1, FDPS PCSK9 501/4885GRM5 2196/4885EPHX2 3036/4885

“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.