SCHEMBL6855065

SCHEMBL6855065

Cc1sc(-c2ccccc2)nc1CN

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RARA P10276 2/20 0.45
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
DCK P27707 2/20 0.42
ALOX5 P09917 1/20 0.41

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
SCHEMBL4902419 0.86 RARA (0.47) HRH3SMN1; SMN2RARARARBRARG
SCHEMBL4034919 0.82 RARA (0.49) HRH3SMN1; SMN2RARARARBRARG
SCHEMBL1436257 0.82 HRH3 (0.46) HRH3SMN1; SMN2RARARARBRARG
SCHEMBL2091544 0.82 HRH3 (0.46) HRH3SMN1; SMN2RARARARBRARG
SCHEMBL1732966 0.82 HRH3 (0.46) HRH3SMN1; SMN2RARARARBRARG
SCHEMBL19938082 0.81 RARA (0.48) HRH3SMN1; SMN2RARARARBRARG
SCHEMBL1436076 0.79 RARA (0.50) HRH3SMN1; SMN2RARARARBRARG
SCHEMBL12116509 0.79 HRH3 (0.54) HRH3SMN1; SMN2RARARARBRARG
SCHEMBL27622903 0.79 RARA (0.47) HRH3SMN1; SMN2RARARARBRARG
SCHEMBL2093689 0.79 RARA (0.47) HRH3SMN1; SMN2RARARARBRARG

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-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-01-02 US claimed
EP-1251128-A1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER-LAMBERT COMPANY (US) 2002-10-23 EP claimed
EP-1251128-B1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER LAMBERT CO (US) 2006-12-06 EP disclosed
US-6828341-B2 Brain disorders; anticonvulsants; central nervous system disorders; psychological disorders WARNER-LAMBERT COMPANY 2004-12-07 US disclosed
US-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists DEORAZIO RUSSELL JOSEPH (US) 2003-01-02 US disclosed
EP-1251128-A1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER-LAMBERT COMPANY (US) 2002-10-23 EP 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-20030004212-A1 Cyclohexylamine derivatives as subtype selective N-Methyl-D-Aspartate antagonists GLRB, GRIN1, GRIN2B HRH3 216/4885SMN1; SMN2 1067/4885RARA 1651/4885

“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.