SCHEMBL5147285

SCHEMBL5147285

COc1cccc(CCCNC(=O)Cc2ccc(OCCN)c(O)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MTNR1A P48039 6/20 0.57
MTNR1B P49286 6/20 0.57

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
SCHEMBL5143593 0.91 MTNR1A (0.64) CA1CA2MTNR1AMTNR1B
SCHEMBL5147341 0.90 MTNR1A (0.57) CA1CA2MTNR1AMTNR1B
SCHEMBL5143466 0.88 TRPV1 (0.45) CA1CA2MTNR1AMTNR1B
SCHEMBL5945557 0.88 POLB (0.45) CA1CA2MTNR1AMTNR1B
SCHEMBL5945580 0.87 GAA (0.56) CA1CA2MTNR1AMTNR1B
SCHEMBL5147368 0.86 MTNR1A (0.53) CA1CA2MTNR1AMTNR1B
SCHEMBL5945514 0.84 TRPV1 (0.44) CA1CA2
SCHEMBL5945531 0.84 TRPV1 (0.57) CA1CA2
SCHEMBL5160148 0.84 HPGD (0.47)
SCHEMBL5147332 0.84 GAA (0.40) CA1CA2MTNR1AMTNR1B

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 CA1 132/4885CA2 160/4885MTNR1A 1766/4885

“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.