SCHEMBL13325129

SCHEMBL13325129

COc1cc(Br)cc(C)c1Nc1nc2cccc(N(C)C(C)C)c2n1C

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.78

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
SCHEMBL13325095 0.89 CRHR1 (0.85) CRHR1
Hydrochloric Acid SCHEMBL3287217 0.88 CRHR1 (0.85) CRHR1
SCHEMBL13325117 0.88 CRHR1 (1.00) CRHR1
SCHEMBL13325069 0.87 CRHR1 (0.85) CRHR1
SCHEMBL13325066 0.86 CRHR1 (0.84) CRHR1
SCHEMBL13324997 0.85 CRHR1 (1.00) CRHR1
SCHEMBL13325126 0.85 CRHR1 (1.00) CRHR1
SCHEMBL3284292 0.85 CRHR1 (1.00) CRHR1
SCHEMBL13325122 0.84 CRHR1 (1.00) CRHR1
SCHEMBL2055890 0.84 CRHR1 (0.70) 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-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 CRHR1 4/4885

“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.