SCHEMBL5496770

SCHEMBL5496770

CCCCC(C)(N)c1nc(C)nc2c1CCCN2c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.42
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
KCNQ2 O43526 1/20 0.33

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
SCHEMBL5493174 0.81 CRHR1 (0.43) CRHR1CNR2
SCHEMBL3282113 0.79 CRHR1 (0.45) CRHR1CNR1DRD2
SCHEMBL5493199 0.77 CRHR1 (0.45) CRHR1CNR1CNR2DRD2HTR7
SCHEMBL5493196 0.77 CRHR1 (0.44) CRHR1CNR1CNR2
SCHEMBL5493194 0.77 CRHR1 (0.49) CRHR1
SCHEMBL6750144 0.76 CRHR1 (0.45) CRHR1
SCHEMBL5488619 0.74 CRHR1 (0.34) CRHR1
SCHEMBL6639521 0.73 CRHR1 (0.46) CRHR1CNR1CNR2HTR7
SCHEMBL2193222 0.73 CRHR1 (0.49) CRHR1DRD2
SCHEMBL5492499 0.72 CRHR1 (0.47) CRHR1CNR1CNR2DRD2HTR7

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 2/4885CNR1 54/4885CNR2 125/4885

“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.