SCHEMBL12529031

SCHEMBL12529031

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.58
▸ FPR1 P21462 1/20 0.56
▸ FPR2 P25090 1/20 0.56
▸ MCHR1 Q99705 6/20 0.56
▸ NAMPT P43490 1/20 0.54
▸ HTR1A P08908 1/20 0.53
▸ HTR1D P28221 1/20 0.53
▸ HTR1B P28222 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ HTR6 P50406 1/20 0.53
▸ LMNA P02545 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50

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
SCHEMBL12528987 0.90 LMNA (0.66) TRPV1MCHR1LMNAMAPTSMN1; SMN2
SCHEMBL12528886 0.90 MCHR1 (0.59) TRPV1FPR1FPR2MCHR1NAMPT
SCHEMBL12529018 0.89 CA12 (0.63) MCHR1NAMPTMAPTSMN1; SMN2CA12
SCHEMBL12529063 0.89 PANK3 (0.65) TRPV1MCHR1NAMPTLMNAMAPT
SCHEMBL12528997 0.88 TRPV1 (0.61) TRPV1MCHR1NAMPTMAPT
SCHEMBL12528993 0.88 MCHR1 (0.65) MCHR1NAMPTMAPTHTTKMT2A
SCHEMBL12529027 0.88 MAPT (0.62) MCHR1MAPTSMN1; SMN2
SCHEMBL12528808 0.88 MCHR1 (0.56) MCHR1MAPTSMN1; SMN2
SCHEMBL12529137 0.87 NAMPT (0.51) TRPV1FPR1FPR2MCHR1NAMPT
SCHEMBL12529014 0.87 MCHR1 (0.65) TRPV1MCHR1NAMPTHTR1AHTR1D

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 649/4885FPR1 586/4885FPR2 782/4885

“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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