SCHEMBL5135910

SCHEMBL5135910

Cc1cccc(CN(C(=O)c2ccccc2-c2ccccc2F)C2Cc3ccccc3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
TACR1 P25103 3/20 0.39
MAPT P10636 1/20 0.39
HTR1A P08908 4/20 0.38
HTR7 P34969 4/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HSP90AA1 P07900 1/20 0.36
OPRM1 P35372 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
SCHEMBL5136945 0.89 OPRM1 (0.45) ALDH1A1MAPTHTR1AHTR7KMT2A
SCHEMBL5361344 0.88 ALDH1A1 (0.46) RAB9AALDH1A1KDM4ETACR1MAPT
SCHEMBL5137467 0.87 KMT2A (0.48) RAB9AALDH1A1TACR1TP53KMT2A
SCHEMBL5358837 0.86 LPAR1 (0.43) RAB9AALDH1A1KDM4ETACR1TP53
SCHEMBL5135361 0.84 ALDH1A1 (0.55) RAB9AALDH1A1KDM4EMAPTHTR1A
SCHEMBL5135641 0.83 HCRTR1 (0.39) RAB9AALDH1A1KDM4ETACR1TP53
SCHEMBL5135222 0.82 ALDH1A1 (0.46) ALDH1A1TACR1MAPTSLC6A2SLC6A4
SCHEMBL5135229 0.82 OPRM1 (0.43) ALDH1A1TACR1KMT2AOPRM1
SCHEMBL5373175 0.81 TP53 (0.49) HTR1AHTR7TP53KMT2A
SCHEMBL5135980 0.79 LMNA (0.44) RAB9AALDH1A1TACR1TP53KMT2A

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
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US 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
EP-1487796-A4 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-11-16 EP 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
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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 RAB9A 1382/4885ALDH1A1 1494/4885KDM4E 3896/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 RAB9A 1353/4885ALDH1A1 1680/4885KDM4E 3737/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 RAB9A 1353/4885ALDH1A1 1680/4885KDM4E 3737/4885

“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.