SCHEMBL5364755

SCHEMBL5364755

CC(C)c1ccc2c(cnn2C)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
ACE2 Q9BYF1 2/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 1/20 0.33
S1PR2 O95136 1/20 0.33
GAA P10253 1/20 0.33
TRPV1 Q8NER1 5/20 0.32
HAO1 Q9UJM8 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL5358960 0.87 S1PR2 (0.34) KDM4EMAPK1S1PR2TRPV1KDR
SCHEMBL30949513 0.78 MEN1 (0.35) TRPV1HAO1KDR
SCHEMBL9941704 0.78 MAOB (0.41) KDM4ETRPV1
SCHEMBL19531654 0.76 BRD4 (0.34) KDR
SCHEMBL24276943 0.74 F2RL1 (0.35)
SCHEMBL5359037 0.74 KDM4E (0.30) KDM4EMAPK1
SCHEMBL23809262 0.73 S1PR2 (0.37) FABP3FABP4ACE2KDM4EMAPK1
SCHEMBL15077331 0.70 CCR4 (0.39) MAPK1TRPV1KDR
SCHEMBL5364529 0.70 EGLN1 (0.40) FABP3FABP4ACE2KDM4EGAA
SCHEMBL25303073 0.69 KDM4C (0.43) KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP disclosed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US 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 FABP3 1155/4885FABP4 2480/4885ACE2 796/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 FABP3 1139/4885FABP4 2413/4885ACE2 864/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 FABP3 1139/4885FABP4 2413/4885ACE2 864/4885

“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.