SCHEMBL1748830

SCHEMBL1748830

Cc1cc(N)c(Cl)cc1N1CCC(N(C)C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
RPS6KB1 P23443 1/20 0.35
MAP4K4 O95819 1/20 0.35
WDR5 P61964 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
JAK1 P23458 2/20 0.33
USP30 Q70CQ3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NR4A1 P22736 1/20 0.33

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
SCHEMBL1749402 0.81 GAA (0.47) MEN1ALDH1A1MAPTKMT2AMAP4K4
SCHEMBL1750148 0.76 FPR1 (0.36) NOTUMMAP4K4WDR5OPRM1OPRD1
SCHEMBL20495839 0.76 KDM4E (0.41) NOTUMALDH1A1MAP4K4OPRM1OPRD1
SCHEMBL1749968 0.76 GAA (0.43) NOTUMMAP4K4OPRM1OPRD1OPRK1
SCHEMBL1749517 0.75 NOTUM (0.41) NOTUMRPS6KB1MAP4K4WDR5OPRM1
SCHEMBL1748829 0.75 DRD2 (0.45) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL1750528 0.74 MAP4K4 (0.43) MAP4K4OPRD1JAK1MCHR1
SCHEMBL19212359 0.74 RPS6KB1 (0.45) NOTUMALDH1A1RPS6KB1WDR5SIGMAR1
SCHEMBL19212360 0.74 RPS6KB1 (0.45) NOTUMALDH1A1RPS6KB1WDR5SIGMAR1
SCHEMBL1749743 0.73 NOTUM (0.39) NOTUMMAP4K4WDR5OPRM1OPRD1

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 2483/4885MEN1 982/4885ALDH1A1 286/4885

“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.