SCHEMBL5136116

SCHEMBL5136116

Cc1ccc(-c2ccccc2C(=O)N(Cc2ccccc2C)C2Cc3ccccc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SLC6A2 P23975 10/20 0.39
SLC6A4 P31645 10/20 0.39
KCNH2 Q12809 3/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SLC6A3 Q01959 7/20 0.36
CYP2D6 P10635 4/20 0.36
CHRM3 P20309 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TACR1 P25103 1/20 0.35

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
SCHEMBL5137536 0.93 ALDH1A1 (0.46) ALDH1A1SLC6A2SLC6A4KCNH2DRD3
SCHEMBL5355090 0.89 MAPT (0.45) ALDH1A1SLC6A2SLC6A4KCNH2DRD3
SCHEMBL5373300 0.87 MEN1 (0.46) ALDH1A1SLC6A2SLC6A4KCNH2DRD3
SCHEMBL5359589 0.86 MEN1 (0.51) ALDH1A1SLC6A2SLC6A4KCNH2DRD3
SCHEMBL5135771 0.84 MEN1 (0.51) ALDH1A1SLC6A2SLC6A4KCNH2DRD3
SCHEMBL5358837 0.83 LPAR1 (0.43) ALDH1A1SLC6A2SLC6A4KCNH2DRD3
SCHEMBL5358561 0.83 ALDH1A1 (0.47) ALDH1A1SLC6A4KCNH2MEN1KMT2A
SCHEMBL5364918 0.82 ALDH1A1 (0.40) ALDH1A1SLC6A2SLC6A4KCNH2DRD3
SCHEMBL5134846 0.81 POLB (0.40) ALDH1A1SLC6A2SLC6A4MEN1KMT2A
SCHEMBL5137964 0.81 SLC6A2 (0.47) ALDH1A1SLC6A2SLC6A4KCNH2DRD3

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 11 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
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 ALDH1A1 1494/4885SLC6A2 1971/4885SLC6A4 2648/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 ALDH1A1 1680/4885SLC6A2 1929/4885SLC6A4 2621/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 ALDH1A1 1680/4885SLC6A2 1929/4885SLC6A4 2621/4885

“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.