SCHEMBL12529027

SCHEMBL12529027

Cc1ccc(N2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ TP53 P04637 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MCHR1 Q99705 10/20 0.56
▸ HRH3 Q9Y5N1 5/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ TSHR P16473 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
SCHEMBL12528993 0.91 MCHR1 (0.65) MAPTPOLBMCHR1HRH3CYP2C9
SCHEMBL12528808 0.91 MCHR1 (0.56) MAPTPOLBSMN1; SMN2MCHR1HRH3
SCHEMBL12529018 0.90 CA12 (0.63) MAPTPOLBSMN1; SMN2MCHR1HRH3
SCHEMBL12529014 0.90 MCHR1 (0.65) MAPTSMN1; SMN2MCHR1HRH3
SCHEMBL12529022 0.90 CA12 (0.65) MAPTTP53POLBSMN1; SMN2MCHR1
SCHEMBL12528889 0.89 MCHR1 (0.62) MAPTTP53SMN1; SMN2MCHR1HRH3
SCHEMBL12529069 0.89 MCHR1 (0.53) MAPTTP53POLBSMN1; SMN2MCHR1
SCHEMBL12528997 0.89 TRPV1 (0.61) MAPTMCHR1HRH3
SCHEMBL12529046 0.89 MAPT (0.66) MAPTTP53POLBSMN1; SMN2MCHR1
SCHEMBL12529052 0.89 HTR1A (0.52) MAPTTP53POLBSMN1; SMN2MCHR1

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 4800/4885TP53 4172/4885POLB 1617/4885

“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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