SCHEMBL5945461

SCHEMBL5945461

Cc1ccc(CCCCNC(=O)Cc2ccc(OCCN)c([N+](=O)[O-])c2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.41
ALPG P10696 1/20 0.40

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
SCHEMBL5945455 0.97 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL5945478 0.93 CYP1A2 (0.51) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL8603468 0.88 CYP1A2 (0.45) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL5147296 0.88 TRPV1 (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5945470 0.88 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5145060 0.87 TRPV1 (0.53) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5945566 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5145137 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5945481 0.85 L3MBTL1 (0.42) ALDH1A1MAPTHTT
SCHEMBL5945459 0.85 TRPV1 (0.46) MAPTHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 1137/4885MEN1 3297/4885KMT2A 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.