SCHEMBL1703922

SCHEMBL1703922

O=C1c2ccccc2C(=O)N1CCCCCCCCNOCC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
ACHE P22303 9/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL1703635 1.00 HPGD (0.53) HPGDALDH1A1MAPK1ACHEHTR1A
SCHEMBL13045356 1.00 HPGD (0.53) HPGDALDH1A1MAPK1ACHEHTR1A
SCHEMBL1703594 1.00 HPGD (0.53) HPGDALDH1A1MAPK1ACHEHTR1A
SCHEMBL4447716 0.81 HPGD (0.49) HPGDALDH1A1MAPK1ACHEHTR1A
SCHEMBL29263737 0.79 HPGD (0.59) HPGDALDH1A1MAPK1ACHEHTR1A
SCHEMBL14450985 0.77 ACHE (0.57) HPGDALDH1A1MAPK1ACHEHTR1A
SCHEMBL21609729 0.76 ACHE (0.59) HPGDALDH1A1MAPK1ACHEHTR1A
SCHEMBL21609732 0.76 ACHE (0.59) HPGDALDH1A1MAPK1ACHEHTR1A
SCHEMBL17117470 0.76 ACHE (0.59) HPGDALDH1A1MAPK1ACHEHTR1A
SCHEMBL28436524 0.76 HPGD (0.55) HPGDALDH1A1MAPK1ACHEHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
EP-2440527-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE Topo Target A/S (DK) 2012-04-18 EP disclosed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 WO disclosed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 WO 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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT HPGD 129/4885ALDH1A1 900/4885MAPK1 2123/4885

“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.