SCHEMBL12529049

SCHEMBL12529049

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)CC3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 0.56
▸ MAPT P10636 4/20 0.53
▸ TP53 P04637 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ PANK3 Q9H999 1/20 0.51
▸ FLT4 P35916 1/20 0.49
▸ BTK Q06187 1/20 0.49
▸ MELK Q14680 1/20 0.49
▸ MINK1 Q8N4C8 1/20 0.49
▸ CCR2 P41597 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ MCHR1 Q99705 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CCNC P24863 1/20 0.49
▸ CDK8 P49336 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
SCHEMBL12529055 0.89 MAPT (0.66) MAPTTP53SMN1; SMN2POLBPANK3
SCHEMBL12529031 0.85 TRPV1 (0.58) MAPTSMN1; SMN2MCHR1LMNA
SCHEMBL12529071 0.85 MCHR1 (0.57) MAPTTP53SMN1; SMN2POLBPANK3
SCHEMBL12529014 0.85 MCHR1 (0.65) MAPTSMN1; SMN2PANK3MCHR1LMNA
SCHEMBL12529009 0.85 MAPT (0.62) MAPTTP53SMN1; SMN2POLBPANK3
SCHEMBL12528987 0.84 LMNA (0.66) NOTUMMAPTTP53SMN1; SMN2POLB
SCHEMBL12529018 0.83 CA12 (0.63) MAPTSMN1; SMN2POLBPANK3MCHR1
SCHEMBL12529029 0.83 TRPV1 (0.60) MCHR1
SCHEMBL12529069 0.82 MCHR1 (0.53) MAPTTP53SMN1; SMN2POLBMCHR1
SCHEMBL12529027 0.82 MAPT (0.62) MAPTTP53SMN1; SMN2POLBMCHR1

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 NOTUM 2170/4885MAPT 4800/4885TP53 4172/4885

“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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