SCHEMBL1749517

SCHEMBL1749517

CN(C(=O)O)C1CCN(c2ccc(N)c(F)c2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.41
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
MAP4K4 O95819 1/20 0.36
WDR5 P61964 1/20 0.36
KDM4E B2RXH2 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NR4A1 P22736 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RPS6KB1 P23443 1/20 0.35
JAK1 P23458 1/20 0.35
HTT P42858 1/20 0.34
MCHR1 Q99705 1/20 0.34
BTK Q06187 3/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL1749743 0.89 NOTUM (0.39) NOTUMFPR1FPR2MAP4K4WDR5
SCHEMBL20495839 0.82 KDM4E (0.41) NOTUMMAP4K4KDM4EOPRM1OPRD1
SCHEMBL1749817 0.81 GAA (0.41) NOTUMMAP4K4WDR5GAARPS6KB1
SCHEMBL1749473 0.79 OPRM1 (0.40) NOTUMMAP4K4WDR5KDM4EOPRM1
SCHEMBL1749216 0.79 ALDH1A1 (0.45) NOTUMFPR1FPR2MAP4K4OPRD1
SCHEMBL1749219 0.79 ALDH1A1 (0.45) NOTUMFPR1FPR2MAP4K4OPRD1
SCHEMBL1750148 0.77 FPR1 (0.36) NOTUMFPR1FPR2MAP4K4WDR5
SCHEMBL1750696 0.76 NOTUM (0.44) NOTUMFPR1FPR2MAP4K4MCHR1
SCHEMBL1749372 0.76 NOTUM (0.44) NOTUMFPR1FPR2MAP4K4MCHR1
SCHEMBL1749835 0.75 MAP4K4 (0.51) MAP4K4OPRM1OPRD1OPRK1OGFRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 NOTUM 2483/4885FPR1 463/4885FPR2 841/4885

“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.