SCHEMBL1749113

SCHEMBL1749113

O=C(O)NCC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 3/20 0.64
OPRM1 P35372 1/20 0.64
OPRD1 P41143 1/20 0.64
MAPK1 P28482 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPT P10636 13/20 0.50
ALDH1A1 P00352 9/20 0.50
TDP1 Q9NUW8 4/20 0.50
HPGD P15428 3/20 0.50
MCL1 Q07820 2/20 0.50
MAPKAPK2 P49137 2/20 0.49
LMNA P02545 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 3/20 0.48
HTT P42858 1/20 0.44
GAA P10253 2/20 0.43

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
SCHEMBL1749115 0.81 RAB9A (0.65) RAB9ANPC1OPRM1OPRD1MAPK1
SCHEMBL1750661 0.81 RAB9A (0.65) RAB9ANPC1MAPK1SMN1; SMN2KDM4E
SCHEMBL12547597 0.80 RAB9A (0.66) RAB9ANPC1OPRM1OPRD1MAPK1
SCHEMBL12528655 0.76 RAB9A (0.59) RAB9ANPC1OPRM1OPRD1MAPK1
SCHEMBL12532439 0.76 RAB9A (0.59) RAB9ANPC1OPRM1OPRD1MAPK1
SCHEMBL12547505 0.73 NPC1 (0.54) RAB9ANPC1OPRM1OPRD1MAPK1
SCHEMBL14502227 0.73 MCHR1 (0.56) RAB9ANPC1OPRM1OPRD1MAPK1
SCHEMBL12531318 0.73 NPC1 (0.53) RAB9ANPC1OPRM1OPRD1MAPK1
SCHEMBL12532424 0.72 MCHR1 (0.55) RAB9ANPC1OPRM1OPRD1MAPK1
SCHEMBL12532426 0.72 MCHR1 (0.55) RAB9ANPC1OPRM1OPRD1MAPK1

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 4 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
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 (2 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 RAB9A 4319/4885NPC1 1504/4885OPRM1 404/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 RAB9A 4386/4885NPC1 1718/4885OPRM1 450/4885

“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.