SCHEMBL5790259

SCHEMBL5790259

CCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(C)cc3C)noc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.47
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7214392 0.81 CRHR1 (0.46) CRHR1ALDH1A1NPSR1
SCHEMBL5788526 0.79 CRHR1 (0.48) CRHR1
SCHEMBL5790012 0.78 CRHR1 (0.48) CRHR1
SCHEMBL5787157 0.78 CRHR1 (0.47) CRHR1
SCHEMBL5789903 0.77 CRHR1 (0.48) CRHR1
SCHEMBL5787607 0.75 CRHR1 (0.56) CRHR1
SCHEMBL7219408 0.74 CRHR1 (0.44) CRHR1NPSR1
SCHEMBL7213906 0.74 CRHR1 (0.47) CRHR1ALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL5787170 0.74 CRHR1 (0.54) CRHR1
SCHEMBL5789317 0.73 CRHR1 (0.47) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923582-B1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER (US) 2006-09-20 EP disclosed
US-6900217-B2 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC (US) 2005-05-31 US disclosed
US-20050009823-A1 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC 2005-01-13 US disclosed
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC. 2002-10-17 US disclosed
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CHEN YUHPYNG L (US) 2001-07-12 US disclosed
EP-0923582-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-23 EP disclosed
WO-1998008847-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 WO 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 (3 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-20050009823-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, ABCG2 CRHR1 2433/4885ALDH1A1 1171/4885CYP2C9 22/4885
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, CYP3A5 CRHR1 2304/4885ALDH1A1 736/4885CYP2C9 13/4885
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 CRHR1 2026/4885ALDH1A1 491/4885CYP2C9 10/4885

“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.