SCHEMBL2959306

SCHEMBL2959306

O=C(CCc1ccccc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.64
LTA4H P09960 1/20 0.64
ACE P12821 5/20 0.63
KMT2A Q03164 2/20 0.62
ITGB2 P05107 2/20 0.62
ICAM1 P05362 2/20 0.62
ITGAL P20701 2/20 0.62
MEN1 O00255 1/20 0.61
HCRTR1 O43613 1/20 0.61
ERAP2 Q6P179 1/20 0.61
PPARG P37231 1/20 0.61
P2RY14 Q15391 1/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61

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
SCHEMBL28587519 1.00 ALOX15 (0.64) ALOX15LTA4HACEKMT2AITGB2
SCHEMBL2956712 1.00 ALOX15 (0.64) ALOX15LTA4HACEKMT2AITGB2
SCHEMBL1233499 0.93 KMT2A (0.68) ALOX15LTA4HACEKMT2AITGB2
SCHEMBL1233383 0.93 KMT2A (0.68) ALOX15LTA4HACEKMT2AITGB2
SCHEMBL9727576 0.92 ITGB2 (0.66) ALOX15ACEKMT2AITGB2ICAM1
SCHEMBL9727891 0.92 ITGB2 (0.66) ALOX15ACEKMT2AITGB2ICAM1
SCHEMBL2489043 0.91 KMT2A (0.72) ALOX15LTA4HACEKMT2AITGB2
SCHEMBL15145377 0.90 ALOX15 (0.58) ALOX15LTA4HACEKMT2AITGB2
SCHEMBL15145396 0.90 KMT2A (0.74) ALOX15ACEKMT2AITGB2ICAM1
SCHEMBL21203216 0.89 ACE (0.58) ALOX15LTA4HACEKMT2AITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767692-B2 1-amidomethylcarbonyl-piperidine compounds, methods and intermediate products for the production thereof and pharmaceutical formulations containing said compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2010-08-03 US disclosed
EP-1392679-B1 NOVEL 1-AMIDOMETHYLCARBONYL-PIPERIDINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS SOLVAY PHARM GMBH (DE) 2005-11-02 EP disclosed
US-20040152732-A1 1-amidomethylcarbonyl-piperidine compounds, methods and intermediate products for the production thereof and pharmaceutical formulations containing said compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2004-08-05 US disclosed
EP-1392679-A1 NOVEL 1-AMIDOMETHYLCARBONYL-PIPERIDINE DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS Solvay Pharmaceuticals GmbH (DE) 2004-03-03 EP disclosed
WO-2002092592-A1 NOVEL 1-AMIDOMETHYLCARBONYL-PIPERIDINE DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2002-11-21 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 (1 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-20040152732-A1 1-amidomethylcarbonyl-piperidine compounds, methods and intermediate products for the production thereof and pharmaceutical formulations containing said compounds MLNR, GIPR, MLN ALOX15 2953/4885LTA4H 593/4885ACE 2340/4885

“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.