SCHEMBL12529061

SCHEMBL12529061

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)CC3)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 9/20 0.67
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ GAA P10253 1/20 0.57

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
SCHEMBL12529029 0.87 TRPV1 (0.60) TRPV1
SCHEMBL12528990 0.85 GAA (0.59) GAA
SCHEMBL12528982 0.82 KDM4E (0.64) TRPV1CA12CA1CA2CA9
SCHEMBL12529031 0.82 TRPV1 (0.58) TRPV1CA12CA1CA2CA9
SCHEMBL4262793 0.82 TRPV1 (0.82) TRPV1CA12CA1CA2CA9
SCHEMBL3712104 0.81 TRPV1 (0.80) TRPV1CA12CA1CA2CA9
SCHEMBL12528997 0.81 TRPV1 (0.61) TRPV1
SCHEMBL12528993 0.81 MCHR1 (0.65) CA12CA1CA2CA9
SCHEMBL12529066 0.80 CNR2 (0.62) TRPV1NPSR1GAA
SCHEMBL12529049 0.80 NOTUM (0.56) —

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 6 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-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-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-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 TRPV1 649/4885CA12 2612/4885CA1 1664/4885

“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.

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