SCHEMBL12529046

SCHEMBL12529046

CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.66
▸ ALDH1A1 P00352 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ POLB P06746 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ TP53 P04637 1/20 0.62
▸ THRB P10828 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ PANK3 Q9H999 1/20 0.62
▸ MCHR1 Q99705 10/20 0.60
▸ HTT P42858 1/20 0.55
▸ NAMPT P43490 1/20 0.55
▸ HPGD P15428 1/20 0.52
▸ GFER P55789 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL12528808 0.89 MCHR1 (0.56) MAPTALDH1A1SMN1; SMN2POLBMCHR1
SCHEMBL12529027 0.89 MAPT (0.62) MAPTALDH1A1SMN1; SMN2POLBTP53
SCHEMBL12528993 0.89 MCHR1 (0.65) MAPTPOLBMAPK1MCHR1HTT
SCHEMBL12529018 0.88 CA12 (0.63) MAPTALDH1A1SMN1; SMN2POLBPANK3
SCHEMBL12529014 0.88 MCHR1 (0.65) MAPTSMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL12528997 0.87 TRPV1 (0.61) MAPTMCHR1NAMPTHRH3
SCHEMBL12529071 0.86 MCHR1 (0.57) MAPTSMN1; SMN2POLBLMNAKDM4E
SCHEMBL12529031 0.86 TRPV1 (0.58) MAPTSMN1; SMN2LMNAMCHR1HTT
SCHEMBL12529045 0.86 MAPT (0.65) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL12529082 0.85 PANK3 (0.64) MAPTPANK3MCHR1NAMPTHRH3

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 MAPT 4800/4885ALDH1A1 374/4885SMN1; 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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