SCHEMBL5136129

SCHEMBL5136129

COc1cccc(-c2ccccc2C(=O)N(Cc2ccc(C)cc2)C2Cc3ccccc3C2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 4/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LPAR1 Q92633 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
HSD17B2 P37059 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL5359163 0.93 KMT2A (0.48) TSHRSMN1; SMN2KMT2AHTR1AHTR7
SCHEMBL5364389 0.91 MAPT (0.46) TSHRSMN1; SMN2KMT2AHTR1AHTR7
SCHEMBL5373175 0.91 TP53 (0.49) KMT2AHTR1AHTR7LPAR1TP53
SCHEMBL5137469 0.87 HTR2A (0.48) HTR2ATSHRSMN1; SMN2KMT2AL3MBTL1
SCHEMBL5135771 0.87 MEN1 (0.51) HTR2ATSHRSMN1; SMN2KMT2ALPAR1
SCHEMBL5373300 0.86 MEN1 (0.46) HTR2ATSHRSMN1; SMN2KMT2ALPAR1
SCHEMBL5361256 0.86 GABRA1 (0.44) SMN1; SMN2KMT2AL3MBTL1MAPTGAA
SCHEMBL5370790 0.83 KMT2A (0.48) TSHRSMN1; SMN2KMT2ALPAR1MAPT
SCHEMBL5359589 0.82 MEN1 (0.51) SMN1; SMN2KMT2ALPAR1ALDH1A1MEN1
SCHEMBL5358837 0.81 LPAR1 (0.43) KMT2AL3MBTL1LPAR1TP53ALDH1A1

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 HTR2A 328/4885TSHR 207/4885SMN1; SMN2 3169/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 HTR2A 329/4885TSHR 198/4885SMN1; SMN2 3354/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 HTR2A 329/4885TSHR 198/4885SMN1; SMN2 3354/4885

“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.