SCHEMBL5489117

SCHEMBL5489117

Cc1nc2c(c(-n3cc(Br)c(C)n3)n1)CCN2c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.46
OPRM1 P35372 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
CNR1 P21554 4/20 0.34
LMNA P02545 1/20 0.33
CNR2 P34972 2/20 0.33
ROCK1 Q13464 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL5494070 0.83 CRHR1 (0.44) CRHR1CNR1LMNACNR2ROCK1
SCHEMBL5496966 0.81 CRHR1 (0.55) CRHR1OPRM1CACNA2D1CACNA2D2CNR1
SCHEMBL2193222 0.80 CRHR1 (0.49) CRHR1OPRM1CACNA2D1CACNA2D2LMNA
SCHEMBL5494384 0.77 CRHR1 (0.49) CRHR1OPRM1CNR1CNR2
SCHEMBL6752634 0.77 CRHR1 (0.42) CRHR1OPRM1
SCHEMBL5487797 0.77 CRHR1 (0.49) CRHR1CNR1
SCHEMBL5494360 0.76 CRHR1 (0.48) CRHR1LMNA
SCHEMBL5494959 0.76 CRHR1 (0.47) CRHR1OPRM1CNR1ROCK1NOTUM
SCHEMBL5494129 0.75 CRHR1 (0.47) CRHR1ROCK1
SCHEMBL2191256 0.74 CRHR1 (0.57) CRHR1

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 4 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 claimed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US claimed
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 229/4885CACNA2D1 2781/4885

“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.