SCHEMBL4704099

SCHEMBL4704099

Cc1csc(N2CCC(NC(=O)C#Cc3ccccc3C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 1/20 0.38
GRM5 P41594 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
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
DPP4 P27487 1/20 0.36
FAAH O00519 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
SCHEMBL972810 0.94 ACKR3 (0.38) HRH3ALDH1A1GRM5DPP4
SCHEMBL4701477 0.90 SMN1; SMN2 (0.42) HRH3ALDH1A1GRM5DRD2HTR2A
SCHEMBL4703465 0.88 HRH3 (0.42) HRH3ALDH1A1GRM5RAB9ASMN1; SMN2
SCHEMBL4703857 0.88 DRD2 (0.49) HRH3GRM5DRD2HTR2AHTR2C
SCHEMBL973611 0.85 LMNA (0.37) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL971760 0.84 SMN1; SMN2 (0.39) HRH3ALDH1A1GRM5NPC1RAB9A
SCHEMBL4701214 0.83 SMN1; SMN2 (0.44) HRH3ALDH1A1DRD2HTR2AHTR2C
SCHEMBL972950 0.83 GRM5 (0.40) HRH3GRM5
SCHEMBL4703016 0.82 FAAH (0.41) HRH3NPC1RAB9ASMN1; SMN2FAAH
SCHEMBL4698213 0.82 DRD2 (0.40) HRH3GRM5DRD2HTR2AHTR2C

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 8 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
EP-1968958-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079961-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO 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 HRH3 3883/4885ALDH1A1 591/4885GRM5 2196/4885

“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.