SCHEMBL5137964

SCHEMBL5137964

Cc1ccccc1CN(C(=O)c1c(C)cccc1-c1ccccc1)C1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.47
SLC6A4 P31645 13/20 0.47
SLC6A3 Q01959 11/20 0.46
CYP2D6 P10635 6/20 0.46
KCNH2 Q12809 2/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
DRD3 P35462 1/20 0.37
FOLH1 Q04609 1/20 0.37

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
SCHEMBL5135258 0.91 C5AR1 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5361073 0.90 KMT2A (0.42) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5137536 0.87 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5136802 0.87 OPRM1 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5135858 0.85 TACR1 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5137411 0.85 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5137520 0.83 PKM (0.39) CYP2D6HTR1AHTR7DRD3
SCHEMBL5354239 0.83 HTR2A (0.45) ALDH1A1
SCHEMBL5135607 0.83 OPRM1 (0.45) SLC6A2SLC6A3HTR1AHTR7
SCHEMBL5365491 0.82 HTT (0.37) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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 SLC6A2 1971/4885SLC6A4 2648/4885SLC6A3 3617/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 SLC6A2 1929/4885SLC6A4 2621/4885SLC6A3 3550/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 SLC6A2 1929/4885SLC6A4 2621/4885SLC6A3 3550/4885

“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.