SCHEMBL5488616

SCHEMBL5488616

CCCCC(CN)c1nc(C)nc2c1CCCC2c1ccc(Cl)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
OPRL1 P41146 3/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BCHE P06276 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL5488619 0.77 CRHR1 (0.34) CRHR1BCHE
SCHEMBL3271338 0.76 TP53 (0.38) CRHR1ALDH1A1TSHR
SCHEMBL5488607 0.76 CRHR1 (0.48) CRHR1
SCHEMBL5488610 0.75 CRHR1 (0.34) CRHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5487155 0.74 TP53 (0.38) CRHR1ALDH1A1TSHR
SCHEMBL5493199 0.74 CRHR1 (0.45) CRHR1
SCHEMBL5492499 0.72 CRHR1 (0.47) CRHR1
SCHEMBL5492324 0.70 CRHR1 (0.49) CRHR1
SCHEMBL5492086 0.69 TP53 (0.36) CRHR1ALDH1A1TSHR
SCHEMBL5492323 0.69 CRHR1 (0.35) 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 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 229/4885OPRD1 294/4885

“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.