SCHEMBL5146892

SCHEMBL5146892

NCCOc1ccc(CC(=O)NCCCCCc2ccccc2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.59
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HSD17B2 P37059 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.44

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
SCHEMBL5945531 0.99 TRPV1 (0.57) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL5945580 0.96 GAA (0.56) TRPV1GAAHPGDL3MBTL1CA1
SCHEMBL5146888 0.89 TRPV1 (0.58) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL5945467 0.88 TRPV1 (0.56) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL5145146 0.86 RAB9A (0.47) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL5145141 0.86 CA2 (0.46) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL5160148 0.86 HPGD (0.47) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL9323021 0.86 TRPV1 (0.66) TRPV1L3MBTL1CA1CA2
SCHEMBL5945459 0.85 TRPV1 (0.46) TRPV1L3MBTL1CA1CA2TP53
SCHEMBL5145060 0.85 TRPV1 (0.53) TRPV1GAAHPGDL3MBTL1LMNA

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 6 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
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 TRPV1 10/4885GAA 3522/4885HPGD 9/4885

“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.