SCHEMBL1749065

SCHEMBL1749065

CN(C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)cn2)C1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.63
KCNH2 Q12809 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.53
MELK Q14680 2/20 0.51
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
STAT3 P40763 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49

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
SCHEMBL12529230 0.85 MCHR1 (0.82) MCHR1SMN1; SMN2RAB9A
SCHEMBL14502184 0.85 MCHR1 (0.85) MCHR1KCNH2SMN1; SMN2MELKRAB9A
SCHEMBL12532196 0.85 KCNH2 (0.63) MCHR1KCNH2SMN1; SMN2MELKRAB9A
SCHEMBL12532132 0.84 MCHR1 (0.66) MCHR1KCNH2SMN1; SMN2RAB9AMAPT
SCHEMBL12532121 0.84 MCHR1 (0.55) MCHR1MELK
SCHEMBL12532123 0.83 MCHR1 (0.59) MCHR1KCNH2SMN1; SMN2RAB9AMAPT
SCHEMBL12532117 0.82 MCHR1 (0.58) MCHR1KCNH2SMN1; SMN2RAB9AMAPT
SCHEMBL12530860 0.82 MCHR1 (0.76) MCHR1SMN1; SMN2RAB9A
SCHEMBL1749358 0.81 MCHR1 (0.83) MCHR1SMN1; SMN2RAB9A
SCHEMBL12531579 0.80 MCHR1 (0.73) MCHR1

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 MCHR1 2068/4885KCNH2 679/4885SMN1; SMN2 1946/4885

“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.