SCHEMBL5496966

SCHEMBL5496966

Cc1ccn(-c2nc(C)nc3c2CCN3c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.55
OPRM1 P35372 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CACNA2D1 P54289 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34

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
SCHEMBL5494384 0.87 CRHR1 (0.49) CRHR1OPRM1CNR1CNR2
SCHEMBL5487797 0.86 CRHR1 (0.49) CRHR1CNR1
SCHEMBL5494129 0.84 CRHR1 (0.47) CRHR1
SCHEMBL2191256 0.83 CRHR1 (0.57) CRHR1
SCHEMBL5494347 0.83 CRHR1 (0.47) CRHR1OPRM1CNR1CNR2
SCHEMBL2193222 0.82 CRHR1 (0.49) CRHR1OPRM1CACNA2D1CACNA2D2
SCHEMBL5494360 0.81 CRHR1 (0.48) CRHR1
SCHEMBL5489117 0.81 CRHR1 (0.46) CRHR1OPRM1CNR1CNR2CACNA2D1
SCHEMBL4941771 0.81 CRHR1 (0.61) CRHR1
SCHEMBL5494070 0.79 CRHR1 (0.44) CRHR1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 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 (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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 CRHR1 2/4885OPRM1 229/4885CNR1 54/4885

“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.