SCHEMBL5146724

SCHEMBL5146724

NCCOc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ADAMTS5 Q9UNA0 2/20 0.50
ADAMTS4 O75173 1/20 0.50
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 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
SCHEMBL5146659 0.84 PDK2 (0.55) HPGDCA12CA1CA2CA9
SCHEMBL5145141 0.83 CA2 (0.46) LTA4HEPHX2GAAHPGDCA12
SCHEMBL5144885 0.83 PDK2 (0.44) LTA4HEPHX2GAAHPGDCA12
SCHEMBL5945490 0.83 PDK2 (0.44) LTA4HEPHX2GAAHPGDCA12
SCHEMBL5145305 0.81 L3MBTL1 (0.55) CA1CA2LMNASMN1; SMN2
SCHEMBL9321032 0.80 LMNA (0.62) HPGDLMNAALDH1A1TRPV1KDM4E
SCHEMBL5145092 0.79 MAPT (0.44) KMT2ACA12CA1CA2CA9
SCHEMBL5146729 0.77 TAAR1 (0.58) KMT2AATMTAAR1
SCHEMBL12966692 0.76 SMN1; SMN2 (0.50) LTA4HLMNAALDH1A1HTTTAAR1
Hydrochloric Acid SCHEMBL28799553 0.75 KMT2A (0.60) LTA4HEPHX2KMT2AGAAHPGD

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 LTA4H 1261/4885EPHX2 1036/4885KMT2A 1912/4885

“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.