SCHEMBL312157

SCHEMBL312157

Cc1ccn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc2n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 20/20 0.55
TSPO P30536 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49

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
SCHEMBL312541 0.87 HCRTR1 (0.54) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2616572 0.86 HCRTR1 (0.57) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL80489 0.86 HCRTR1 (0.56) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2616554 0.85 HCRTR1 (0.55) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2616555 0.84 HCRTR1 (0.58) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2616577 0.84 HCRTR1 (0.54) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2123419 0.83 HCRTR1 (0.63) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2121401 0.83 HCRTR1 (0.53) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2121855 0.83 HCRTR1 (0.53) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2616569 0.82 HCRTR1 (0.56) HCRTR1HCRTR2TSPOOPRK1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US claimed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US claimed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
WO-2010060471-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-06-03 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-20100160344-A1 NOVEL COMPOUNDS BRD4, HDAC6, ENTPD5 HCRTR1 3866/4885HCRTR2 2843/4885TSPO 411/4885

“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.