SCHEMBL5488985

SCHEMBL5488985

Cc1nc(C(CCN)CC2CC2)c2c(n1)N(c1ccc(Cl)cc1Cl)CC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.46
CNR2 P34972 1/20 0.35
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 2/20 0.32
HTR6 P50406 2/20 0.32
HTR1A P08908 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL5492350 0.95 CRHR1 (0.44) CRHR1CNR2
SCHEMBL5497565 0.88 CRHR1 (0.38) CRHR1DRD2HTR2AHTR7HTR6
SCHEMBL5492499 0.81 CRHR1 (0.47) CRHR1CNR2DRD2HTR7HTR6
SCHEMBL5495330 0.81 CRHR1 (0.39) CRHR1
SCHEMBL5493011 0.80 CRHR1 (0.47) CRHR1DRD2HTR2AHTR7HTR6
SCHEMBL5495271 0.78 CRHR1 (0.47) CRHR1HTTSMN1; SMN2
SCHEMBL5488989 0.77 CRHR1 (0.46) CRHR1CNR2CNR1
SCHEMBL5493199 0.77 CRHR1 (0.45) CRHR1CNR2DRD2HTR7HTR6
SCHEMBL5495267 0.74 CRHR1 (0.45) CRHR1CNR2DRD2HTR7HTR6
SCHEMBL2193222 0.74 CRHR1 (0.49) CRHR1DRD2HTR1AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885CNR2 125/4885DRD2 375/4885

“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.