SCHEMBL1749586

SCHEMBL1749586

O=C(O)NCC1CCN(c2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cn2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.51
KCNH2 Q12809 1/20 0.51
NAMPT P43490 1/20 0.48
DGAT1 O75907 6/20 0.47
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
DEGS1 O15121 1/20 0.47
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
FASN P49327 5/20 0.44
CYP3A4 P08684 1/20 0.44
SOAT1 P35610 1/20 0.44

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
SCHEMBL2636661 0.88 MCHR1 (0.51) MCHR1KCNH2NAMPTDGAT1HDAC3
SCHEMBL1749395 0.88 HAO1 (0.40) MCHR1KCNH2DGAT1RAB9AFASN
SCHEMBL1750006 0.85 SMN1; SMN2 (0.38) MCHR1KCNH2DGAT1RAB9AMAPT
SCHEMBL5346694 0.84 CKS1B (0.39) MCHR1KCNH2DGAT1RAB9AFASN
SCHEMBL12532274 0.83 MCHR1 (0.53) MCHR1KCNH2NAMPTDGAT1HDAC3
SCHEMBL1749994 0.81 MCHR1 (0.72) MCHR1KCNH2NAMPTHDAC3HDAC11
SCHEMBL2636659 0.81 MCHR1 (0.52) MCHR1KCNH2NAMPTDGAT1HDAC3
SCHEMBL1749993 0.81 MCHR1 (0.72) MCHR1KCNH2NAMPTHDAC3HDAC11
SCHEMBL12532132 0.80 MCHR1 (0.66) MCHR1KCNH2NAMPTHDAC3HDAC11
SCHEMBL1749761 0.80 MAPT (0.48) MCHR1NAMPTRAB9AMAPTFASN

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 MCHR1 1838/4885KCNH2 611/4885NAMPT 292/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885KCNH2 679/4885NAMPT 222/4885

“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.