SCHEMBL5134589

SCHEMBL5134589

Cc1cccc(CN(C(=O)c2cc(Cl)ccc2-c2ccccc2)C2Cc3ccccc3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
AGER Q15109 1/20 0.40
HSP90AA1 P07900 1/20 0.39
TACR1 P25103 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
LPAR1 Q92633 1/20 0.38
MEN1 O00255 1/20 0.37
PDK1 Q15118 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
SLC6A9 P48067 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
DRD3 P35462 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL5365529 0.91 AGER (0.48) TP53AGERALDH1A1KMT2APOLB
SCHEMBL5361168 0.90 LTB4R2 (0.42) TP53AGERALDH1A1KDM4EKMT2A
SCHEMBL5137467 0.90 KMT2A (0.48) TP53HSP90AA1TACR1ALDH1A1KMT2A
SCHEMBL5136491 0.88 OPRM1 (0.45) AGERKMT2APOLBLPAR1MEN1
SCHEMBL5135285 0.87 TP53 (0.47) TP53KMT2AMEN1
SCHEMBL5136485 0.87 KMT2A (0.52) TP53KMT2APOLBMEN1
SCHEMBL5357497 0.87 MEN1 (0.44) AGERTACR1ALDH1A1KDM4EKMT2A
SCHEMBL5135324 0.85 AGER (0.39) TP53AGERTACR1ALDH1A1POLB
SCHEMBL5358837 0.85 LPAR1 (0.43) TP53HSP90AA1TACR1ALDH1A1KDM4E
SCHEMBL5364918 0.84 ALDH1A1 (0.40) TP53HSP90AA1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487796-A4 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-11-16 EP claimed
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP claimed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US claimed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO claimed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7148225-B2 Substituted biaryl amides as C5A receptor modulators NEUROGEN CORPORATION (US) 2006-12-12 US disclosed
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2006-08-10 US disclosed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US disclosed
US-6858637-B2 Treating rheumatoid arthritis, psoriasis, cardiovascular disease, reperfusion injury, and bronchial asthma; e.g., 2-Methoxynaphthalene-1-carboxylic acid benzyl-indan-2-yl-amide NEUROGEN CORPORATION (US) 2005-02-22 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 (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-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 TP53 3699/4885AGER 90/4885HSP90AA1 4008/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 TP53 3814/4885AGER 84/4885HSP90AA1 4239/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 TP53 3814/4885AGER 84/4885HSP90AA1 4239/4885

“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.