SCHEMBL5494959

SCHEMBL5494959

Cc1nc2c(c(N3[C@H](C)CC[C@H]3C)n1)CCN2c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.47
SRD5A1 P18405 6/20 0.38
CNR1 P21554 1/20 0.36
ROCK1 Q13464 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
NOTUM Q6P988 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
OPRL1 P41146 1/20 0.34
OPRM1 P35372 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
SCHEMBL2193222 0.84 CRHR1 (0.49) CRHR1SRD5A1ROCK1ALDH1A1HTT
SCHEMBL5489065 0.80 CRHR1 (0.47) CRHR1SRD5A1ROCK1MEN1KMT2A
SCHEMBL5494360 0.79 CRHR1 (0.48) CRHR1ALDH1A1HTT
SCHEMBL5496966 0.79 CRHR1 (0.55) CRHR1CNR1OPRM1
SCHEMBL3282113 0.79 CRHR1 (0.45) CRHR1CNR1ROCK1OPRM1
SCHEMBL5488642 0.78 CRHR1 (0.46) CRHR1CNR1ALDH1A1MEN1KMT2A
SCHEMBL2190917 0.76 CRHR1 (0.54) CRHR1SRD5A1ROCK1HTTOPRM1
SCHEMBL5494070 0.76 CRHR1 (0.44) CRHR1CNR1ROCK1ALDH1A1HTT
SCHEMBL5489117 0.76 CRHR1 (0.46) CRHR1CNR1ROCK1NOTUMOPRM1
SCHEMBL5495267 0.75 CRHR1 (0.45) CRHR1CNR1ROCK1HTTOPRL1

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 2/4885SRD5A1 273/4885CNR1 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.