SCHEMBL12547879

SCHEMBL12547879

CN(C)C1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.87
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL12529621 0.99 MCHR1 (0.89) MCHR1NPC1RAB9ATP53MAPT
SCHEMBL12529830 0.96 MCHR1 (0.89) MCHR1NPC1RAB9A
SCHEMBL12529966 0.95 MCHR1 (0.84) MCHR1NPC1RAB9ATP53MAPT
SCHEMBL12529204 0.93 MCHR1 (1.00) MCHR1MAPT
SCHEMBL1750361 0.92 MCHR1 (0.81) MCHR1
SCHEMBL12529207 0.90 MCHR1 (0.79) MCHR1
SCHEMBL12529853 0.90 MCHR1 (0.79) MCHR1
SCHEMBL12529200 0.90 MCHR1 (0.79) MCHR1
SCHEMBL12530172 0.90 MCHR1 (0.79) MCHR1NPC1RAB9A
SCHEMBL12531075 0.90 MCHR1 (0.78) MCHR1NPC1RAB9A

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 2 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

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 2068/4885NPC1 1718/4885RAB9A 4386/4885

“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.