SCHEMBL3288947

SCHEMBL3288947

CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)sc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 1.00

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
SCHEMBL13324891 0.93 CRHR1 (0.87) CRHR1
SCHEMBL13324889 0.90 CRHR1 (0.82) CRHR1
SCHEMBL13325017 0.88 CRHR1 (0.79) CRHR1
SCHEMBL3286480 0.86 CRHR1 (0.76) CRHR1
SCHEMBL13325033 0.86 CRHR1 (0.76) CRHR1
SCHEMBL13324888 0.85 CRHR1 (0.73) CRHR1
SCHEMBL13324887 0.84 CRHR1 (0.72) CRHR1
SCHEMBL3284966 0.83 CRHR1 (0.71) CRHR1
SCHEMBL3285686 0.82 CRHR1 (0.69) CRHR1
SCHEMBL13325042 0.82 CRHR1 (0.69) 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 6 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-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
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.