SCHEMBL12529066

SCHEMBL12529066

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.62
▸ MAPT P10636 5/20 0.60
▸ HPGD P15428 4/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ LMNA P02545 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ TRPV1 Q8NER1 3/20 0.58
▸ NAMPT P43490 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HTT P42858 1/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52

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
SCHEMBL12529063 0.84 PANK3 (0.65) MAPTALDH1A1LMNAPOLBTRPV1
SCHEMBL12529031 0.84 TRPV1 (0.58) MAPTLMNATRPV1NAMPTGAA
SCHEMBL12529049 0.81 NOTUM (0.56) MAPTLMNAPOLBSMN1; SMN2
SCHEMBL6433813 0.81 CNR2 (0.71) CNR2MAPTHPGDALDH1A1LMNA
SCHEMBL12528987 0.81 LMNA (0.66) MAPTALDH1A1LMNAPOLBTRPV1
SCHEMBL12529061 0.80 TRPV1 (0.67) TRPV1GAANPSR1
SCHEMBL12529055 0.80 MAPT (0.66) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL12529071 0.80 MCHR1 (0.57) MAPTLMNAPOLBTRPV1SMN1; SMN2
SCHEMBL12529014 0.80 MCHR1 (0.65) MAPTLMNATRPV1NAMPTGAA
SCHEMBL14415286 0.78 MCHR1 (0.56) MAPTLMNAPOLBTRPV1SMN1; SMN2

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 CNR2 141/4885MAPT 4800/4885HPGD 13/4885

“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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