SCHEMBL5160148

SCHEMBL5160148

Cc1ccc(CCCNC(=O)Cc2ccc(OCCN)c(O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
EPHX2 P34913 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
IARS1 P41252 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5945485 0.93 TRPV1 (0.45) HPGDTRPV1IARS1L3MBTL1
SCHEMBL5945580 0.90 GAA (0.56) HPGDTRPV1L3MBTL1GAA
SCHEMBL5945557 0.90 POLB (0.45) HPGDTRPV1IARS1GAA
SCHEMBL5945514 0.89 TRPV1 (0.44) TRPV1IARS1L3MBTL1
SCHEMBL5145146 0.89 RAB9A (0.47) HPGDEPHX2TRPV1IARS1L3MBTL1
SCHEMBL5145348 0.89 HPGD (0.47) HPGDEPHX2L3MBTL1GAAALDH1A1
SCHEMBL5145141 0.89 CA2 (0.46) HPGDEPHX2TRPV1L3MBTL1GAA
SCHEMBL5945531 0.87 TRPV1 (0.57) HPGDTRPV1L3MBTL1GAAALDH1A1
SCHEMBL5945459 0.86 TRPV1 (0.46) TRPV1IARS1L3MBTL1MAPT
SCHEMBL5146892 0.86 TRPV1 (0.59) HPGDTRPV1L3MBTL1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697303-A4 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES (US) 2007-07-04 EP disclosed
EP-1697303-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2006-09-06 EP disclosed
US-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof STIEFEL LABORATORIES, INC. 2006-03-02 US disclosed
WO-2005068414-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2005-07-28 WO disclosed
EP-0525360-B1 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1998-03-25 EP disclosed
US-5242944-A Analgesics or antiinflammatory agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-09-07 US disclosed
EP-0525360-A2 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-02-03 EP 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-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof HPD, HNMT, PRPH HPGD 9/4885EPHX2 1036/4885TRPV1 10/4885

“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.