SCHEMBL5945481

SCHEMBL5945481

Cc1ccc(CCCCNC(=O)Cc2ccc(OCCN)c(N)c2)cc1C

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
PDK2 Q15119 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5945484 0.97 L3MBTL1 (0.43) L3MBTL1MAPTPDK2
SCHEMBL5145107 0.93 CA1 (0.44) MAPTPDK2ALDH1A1
SCHEMBL5945459 0.90 TRPV1 (0.46) L3MBTL1MAPTTP53HTTTRPV1
SCHEMBL5945514 0.87 TRPV1 (0.44) L3MBTL1TRPV1
SCHEMBL5145348 0.86 HPGD (0.47) L3MBTL1MAPTPDK2ALDH1A1
SCHEMBL5945467 0.86 TRPV1 (0.56) L3MBTL1MAPTTP53HTTTRPV1
Davasaicin SCHEMBL30295417 0.86 L3MBTL1 (0.54) L3MBTL1MAPT
Davasaicin SCHEMBL5145300 0.86 L3MBTL1 (0.54) L3MBTL1MAPT
SCHEMBL5945461 0.85 ALDH1A1 (0.46) MAPTHTTALDH1A1
SCHEMBL5146888 0.85 TRPV1 (0.58) L3MBTL1MAPTTP53HTTTRPV1

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 L3MBTL1 4874/4885MAPT 3708/4885TP53 3538/4885

“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.