SCHEMBL1748855

SCHEMBL1748855

CN(C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(Oc4ccccn4)cc3)cc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.49
HTT P42858 1/20 0.43
KDR P35968 3/20 0.42
BRAF P15056 1/20 0.42
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
ALK Q9UM73 1/20 0.40
JAK2 O60674 1/20 0.40
MET P08581 1/20 0.40
RHOA P61586 1/20 0.40
NPY2R P49146 1/20 0.40
LCK P06239 1/20 0.40
TEK Q02763 1/20 0.40

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
SCHEMBL1748857 1.00 MCHR1 (0.49) MCHR1HTTKDRBRAFFPR1
SCHEMBL12528788 0.86 MLNR (0.40) MCHR1FPR1FPR2JAK2
SCHEMBL1750594 0.83 MCHR1 (0.53) MCHR1
SCHEMBL1750596 0.83 MCHR1 (0.53) MCHR1
SCHEMBL1749850 0.82 NR1H4 (0.49) MCHR1HTTKDRFPR1FPR2
SCHEMBL1749849 0.82 NR1H4 (0.49) MCHR1HTTKDRFPR1FPR2
SCHEMBL12532130 0.82 MAPT (0.50) MCHR1
SCHEMBL1750189 0.81 MCHR1 (0.55) MCHR1HTTKDRFPR1FPR2
SCHEMBL1750191 0.81 MCHR1 (0.55) MCHR1HTTKDRFPR1FPR2
SCHEMBL12531635 0.81 MCHR1 (0.58) MCHR1HTTFPR1FPR2

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 1838/4885HTT 1929/4885KDR 4000/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MCHR1 2068/4885HTT 1798/4885KDR 3916/4885

“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.