SCHEMBL12529063

SCHEMBL12529063

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 2/20 0.65
▸ MAPT P10636 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ HTT P42858 2/20 0.64
▸ KDM4E B2RXH2 5/20 0.62
▸ PKM P14618 1/20 0.62
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ MCHR1 Q99705 1/20 0.61
▸ MAPK1 P28482 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TRPV1 Q8NER1 5/20 0.55
▸ NAMPT P43490 1/20 0.55
▸ POLB P06746 1/20 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
SCHEMBL12529031 0.89 TRPV1 (0.58) MAPTSMN1; SMN2LMNAHTTCA12
SCHEMBL12530254 0.88 ALDH1A1 (0.72) MAPTSMN1; SMN2LMNAKDM4EMCHR1
SCHEMBL12529066 0.84 CNR2 (0.62) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL12528982 0.83 KDM4E (0.64) PANK3MAPTHTTKDM4ECA12
SCHEMBL12529003 0.82 MCHR1 (0.56) MAPTLMNAKDM4EMCHR1ALDH1A1
SCHEMBL12528987 0.81 LMNA (0.66) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL12528886 0.81 MCHR1 (0.59) MAPTMCHR1TRPV1NAMPT
SCHEMBL12529018 0.80 CA12 (0.63) PANK3MAPTSMN1; SMN2CA12CA1
SCHEMBL22581843 0.80 MAPT (0.81) PANK3MAPTSMN1; SMN2LMNAHTT
SCHEMBL30567241 0.80 MAPT (0.81) PANK3MAPTSMN1; SMN2LMNAHTT

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 PANK3 1201/4885MAPT 4800/4885SMN1; SMN2 1946/4885

“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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