SCHEMBL5143575

SCHEMBL5143575

NCCOc1ccc(CC(=O)NCCCc2ccccc2)cc1N

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
TRPV1 Q8NER1 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
MTNR1B P49286 2/20 0.46
MTNR1A P48039 1/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HSD17B2 P37059 1/20 0.45

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
SCHEMBL5945467 0.97 TRPV1 (0.56) GAAHPGDTRPV1L3MBTL1KMT2A
SCHEMBL5146888 0.96 TRPV1 (0.58) GAAHPGDTRPV1L3MBTL1KMT2A
SCHEMBL5145348 0.90 HPGD (0.47) GAAHPGDL3MBTL1KMT2AALDH1A1
SCHEMBL5945490 0.90 PDK2 (0.44) GAAHPGDL3MBTL1ALDH1A1LMNA
SCHEMBL5145058 0.90 RAB9A (0.47) GAAHPGDL3MBTL1KMT2ALMNA
SCHEMBL5945580 0.89 GAA (0.56) GAAHPGDTRPV1L3MBTL1MTNR1B
SCHEMBL5144926 0.89 POLB (0.45) GAAHPGDL3MBTL1MTNR1BMTNR1A
SCHEMBL5146567 0.89 MTNR1A (0.45) GAAHPGDL3MBTL1MTNR1BMTNR1A
SCHEMBL5945450 0.87 L3MBTL1 (0.43) GAAHPGDL3MBTL1
SCHEMBL5147341 0.87 MTNR1A (0.57) MTNR1BMTNR1ACA1CA2

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 GAA 3522/4885HPGD 9/4885TRPV1 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.