SCHEMBL7794554

SCHEMBL7794554

CCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(C)cc3C)c(C(=O)O)n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.42
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
HCAR3 P49019 1/20 0.32

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
SCHEMBL5787898 0.84 CRHR1 (0.47) CRHR1GAA
SCHEMBL5787607 0.74 CRHR1 (0.56) CRHR1
SCHEMBL5789972 0.74 CRHR1 (0.49) CRHR1
SCHEMBL5787451 0.72 CRHR1 (0.46) CRHR1
SCHEMBL5787170 0.71 CRHR1 (0.54) CRHR1
SCHEMBL5790387 0.71 CRHR1 (0.43) CRHR1
SCHEMBL5788526 0.69 CRHR1 (0.48) CRHR1
SCHEMBL5787496 0.69 CRHR1 (0.48) CRHR1
SCHEMBL5791266 0.68 CRHR1 (0.49) CRHR1
SCHEMBL7803320 0.68 ALDH1A1 (0.36) CRHR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CHEN YUHPYNG L (US) 2001-07-12 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-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 CRHR1 2026/4885NPC1 762/4885GAA 986/4885

“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.