SCHEMBL1749692

SCHEMBL1749692

O=C(Nc1ccc(OC2CCCC2)cc1)Nc1ccc(N2CCC(CNC(=O)C3CNC(=O)N3C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 7/20 0.48
MCL1 Q07820 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.41
ALOX15 P16050 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
EPHX2 P34913 2/20 0.37
ACACB O00763 2/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL2636342 0.89 MAPT (0.50) MAPTALDH1A1MCL1KDM4ETDP1
SCHEMBL2636332 0.89 MAPT (0.50) MAPTALDH1A1MCL1KDM4ETDP1
SCHEMBL1750534 0.87 KDM4E (0.52) MAPTALDH1A1MCL1KDM4ETDP1
SCHEMBL1749691 0.84 MCHR1 (0.43) MAPTALDH1A1MCL1KDM4ETDP1
SCHEMBL1749316 0.84 MCHR1 (0.43) MAPTALDH1A1MCL1KDM4ETDP1
SCHEMBL2637095 0.79 MAPT (0.51) MAPTALDH1A1MCL1KDM4ETDP1
SCHEMBL2637103 0.79 MAPT (0.51) MAPTALDH1A1MCL1KDM4ETDP1
SCHEMBL1750688 0.78 MAPT (0.61) MAPTALDH1A1MCL1KDM4ETDP1
SCHEMBL2636848 0.78 MAPT (0.53) MAPTALDH1A1MCL1KDM4ETDP1
SCHEMBL2637271 0.78 MAPT (0.53) MAPTALDH1A1MCL1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 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-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885ALDH1A1 374/4885MCL1 2216/4885

“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.