SCHEMBL80489

SCHEMBL80489

Cc1cn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc2c(C)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.56
HCRTR2 O43614 20/20 0.56
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
SCHEMBL2616577 0.88 HCRTR1 (0.54) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2120684 0.88 HCRTR1 (0.54) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL3043426 0.88 HCRTR1 (0.56) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL21018638 0.88 HCRTR1 (0.56) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2616554 0.87 HCRTR1 (0.55) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2120936 0.87 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL20827760 0.87 HCRTR1 (0.59) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2122715 0.87 HCRTR1 (0.59) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2122191 0.87 HCRTR1 (0.59) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL2122098 0.86 HCRTR1 (0.53) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129384-B2 Imidazo[1,2-a]pyrazines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-03-06 US claimed
US-20110288098-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2011-11-24 US claimed
US-20100160345-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US claimed
US-8129384-B2 Imidazo[1,2-a]pyrazines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-03-06 US disclosed
US-8129384-B2 Imidazo[1,2-a]pyrazines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-03-06 US disclosed
US-8129384-B2 Imidazo[1,2-a]pyrazines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-03-06 US disclosed
US-20110288098-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2011-11-24 US disclosed
US-20110288098-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2011-11-24 US disclosed
US-20110288098-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2011-11-24 US disclosed
US-20100160345-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
US-20100160345-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
US-20100160345-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US 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 (2 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-20110288098-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 HCRTR1 1973/4885HCRTR2 984/4885TSPO 347/4885
US-20100160345-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 HCRTR1 1973/4885HCRTR2 984/4885TSPO 347/4885

“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.