SCHEMBL651294

SCHEMBL651294

CCCCN(Cc1cccc(OCC)c1)Cc1c(Cl)nc(-c2ccccc2C)n1CCCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.40
CRHR1 P34998 4/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MAPT P10636 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL650387 0.92 BCHE (0.35) BCHECRHR1TLR7MEN1KMT2A
SCHEMBL650987 0.92 CALM1 (0.41) BCHECRHR1MAPTTLR7
SCHEMBL650627 0.89 BCHE (0.43) BCHECRHR1MAPTTLR7TSHR
SCHEMBL648590 0.86 C5AR1 (0.40) MEN1KMT2A
SCHEMBL649586 0.84 CALM1 (0.38) CRHR1MAPTMEN1KMT2A
SCHEMBL651129 0.84 MAPT (0.42) BCHEMAPTTLR7TSHRHSD17B10
SCHEMBL649690 0.83 CRHR1 (0.37) BCHECRHR1HRH3MEN1KMT2A
SCHEMBL650477 0.82 KMT2A (0.34) BCHECRHR1MEN1KMT2A
SCHEMBL649322 0.81 SQLE (0.35) BCHETLR7
SCHEMBL5181418 0.81 SMPD1 (0.40) CRHR1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP claimed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP claimed
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US claimed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO claimed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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 (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-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 BCHE 496/4885CRHR1 229/4885HRH3 151/4885

“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.