SCHEMBL4701765

SCHEMBL4701765

Cc1csc(N2CCC(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
PHGDH O43175 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
SMPD3 Q9NY59 1/20 0.39
OXTR P30559 1/20 0.38
PCSK9 Q8NBP7 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CNR1 P21554 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL973987 0.94 SMPD3 (0.43) EPHX2SMPD3OXTRTRPV1
SCHEMBL4703152 0.89 SMN1; SMN2 (0.43) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL4701214 0.89 SMN1; SMN2 (0.44) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL4703399 0.89 PCSK9 (0.44) EPHX2PHGDHPCSK9
SCHEMBL4703857 0.87 DRD2 (0.49) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL4700286 0.85 NAAA (0.48) HRH3
SCHEMBL973350 0.85 SMPD3 (0.38) EPHX2SMPD3TRPV1GAA
SCHEMBL4699430 0.84 HRH3 (0.38) HRH3DRD2HTR2AHTR2CHTR2B
SCHEMBL974382 0.84 GRM5 (0.42) EPHX2PHGDHSMPD3PCSK9
SCHEMBL973612 0.83 SMPD3 (0.41) HRH3SMPD3DRD2HTR2AHTR2C

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 EPHX2 3036/4885PHGDH 1417/4885HRH3 3883/4885

“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.