SCHEMBL12528993

SCHEMBL12528993

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 10/20 0.65
▸ HRH3 Q9Y5N1 1/20 0.63
▸ CA12 O43570 3/20 0.60
▸ CA1 P00915 3/20 0.60
▸ CA2 P00918 3/20 0.60
▸ CA9 Q16790 3/20 0.60
▸ MAPT P10636 2/20 0.59
▸ ME2 P23368 1/20 0.57
▸ ME1 P48163 1/20 0.57
▸ ME3 Q16798 1/20 0.57
▸ GLA P06280 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ HCRTR1 O43613 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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 0.91 MCHR1 (0.56) MCHR1HRH3MAPTPOLB
SCHEMBL12529027 0.91 MAPT (0.62) MCHR1HRH3MAPTPOLBCYP2C9
SCHEMBL12528757 0.90 MCHR1 (0.64) MCHR1HRH3NAMPT
SCHEMBL12529018 0.90 CA12 (0.63) MCHR1HRH3CA12CA1CA2
SCHEMBL12529014 0.90 MCHR1 (0.65) MCHR1HRH3CA12CA1CA2
SCHEMBL12529009 0.90 MAPT (0.62) MCHR1HRH3CA12CA1CA2
SCHEMBL12529022 0.90 CA12 (0.65) MCHR1HRH3CA12CA1CA2
SCHEMBL12528997 0.89 TRPV1 (0.61) MCHR1HRH3MAPTNAMPT
SCHEMBL12529046 0.89 MAPT (0.66) MCHR1HRH3MAPTPOLBMAPK1
SCHEMBL12529006 0.88 SMN1; SMN2 (0.60) MCHR1HRH3MEN1KMT2ANAMPT

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 MCHR1 2068/4885HRH3 748/4885CA12 2612/4885

“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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