SCHEMBL5143593

SCHEMBL5143593

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

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.64
MTNR1B P49286 5/20 0.64
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL5145316 0.92 MTNR1A (0.64) MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL5147341 0.91 MTNR1A (0.57) MTNR1AMTNR1BCA1CA2
SCHEMBL5147285 0.91 CA1 (0.57) MTNR1AMTNR1BCA1CA2
SCHEMBL5945444 0.91 L3MBTL1 (0.63) MTNR1AMTNR1BCA1CA2L3MBTL1
SCHEMBL7174313 0.90 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2L3MBTL1
SCHEMBL5147368 0.87 MTNR1A (0.53) MTNR1AMTNR1BCA1CA2ALDH1A1
SCHEMBL5145075 0.87 KDM4E (0.53) MTNR1AMTNR1BL3MBTL1
Davasaicin SCHEMBL5145300 0.86 L3MBTL1 (0.54) MTNR1AMTNR1BCA1CA2L3MBTL1
Davasaicin SCHEMBL30295417 0.86 L3MBTL1 (0.54) MTNR1AMTNR1BCA1CA2L3MBTL1
Davasaicin SCHEMBL29396042 0.85 L3MBTL1 (0.53) MTNR1AMTNR1BCA1CA2L3MBTL1

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 MTNR1A 1766/4885MTNR1B 2488/4885CA1 132/4885

“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.