SCHEMBL1749591

SCHEMBL1749591

Nc1ccc(N2CCC(CNC(=O)O)C2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.48
RBP4 P02753 1/20 0.43
TTR P02766 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MCL1 Q07820 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 1/20 0.42
TRPA1 O75762 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1749373 0.85 MAPT (0.44) NOTUMALDH1A1MAPTMCL1KDM4E
SCHEMBL1749371 0.85 MAPT (0.44) NOTUMALDH1A1MAPTMCL1KDM4E
SCHEMBL1749967 0.84 MAPT (0.49) ALDH1A1MAPTMCL1KDM4ETDP1
SCHEMBL1749531 0.83 MAPT (0.44) ALDH1A1MAPTMCL1KDM4ETDP1
SCHEMBL6792106 0.80 MAPT (0.42) NOTUMALDH1A1MAPTMCL1KDM4E
SCHEMBL1750143 0.80 RBP4 (0.45) NOTUMRBP4TTRMAPT
SCHEMBL1749694 0.80 MAPT (0.52) NOTUMALDH1A1MAPTMCL1KDM4E
SCHEMBL1749697 0.80 MAPT (0.52) NOTUMALDH1A1MAPTMCL1KDM4E
SCHEMBL2980263 0.77 NOTUM (0.42) NOTUM
SCHEMBL20508146 0.76 USP30 (0.47) ALDH1A1MAPTMCL1KDM4ETDP1

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 2483/4885RBP4 4650/4885TTR 2009/4885

“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.