SCHEMBL5805397

SCHEMBL5805397

CCN(CC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cc(C)n12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.43
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5788807 0.92 CRHR1 (0.46) CRHR1
SCHEMBL5788442 0.91 CRHR1 (0.52) CRHR1
SCHEMBL5786559 0.90 CRHR1 (0.43) CRHR1LMNACYP1A2MAPK1
SCHEMBL5788541 0.78 CRHR1 (0.58) CRHR1LMNACYP1A2MAPK1
SCHEMBL5788856 0.77 CRHR1 (0.42) CRHR1LMNACYP1A2MAPK1
SCHEMBL5789272 0.74 CRHR1 (0.60) CRHR1
SCHEMBL5788500 0.74 CRHR1 (0.46) CRHR1
SCHEMBL5785875 0.74 CRHR1 (0.41) CRHR1
SCHEMBL8604576 0.73 CRHR1 (0.36) CRHR1LMNA
SCHEMBL5787736 0.72 CRHR1 (0.66) 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 2433/4885LMNA 3264/4885CYP1A2 60/4885
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, CYP3A5 CRHR1 2304/4885LMNA 3366/4885CYP1A2 36/4885
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 CRHR1 2026/4885LMNA 2532/4885CYP1A2 35/4885

“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.