SCHEMBL12528808

SCHEMBL12528808

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ccc(Br)cc4)CC3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 10/20 0.56
▸ HRH3 Q9Y5N1 5/20 0.53
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ POLB P06746 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
SCHEMBL12528974 0.92 HRH3 (0.59) MCHR1HRH3RAB9ANPC1ALDH1A1
SCHEMBL12529027 0.91 MAPT (0.62) MCHR1HRH3RAB9ANPC1ALDH1A1
SCHEMBL12528993 0.91 MCHR1 (0.65) MCHR1HRH3MAPTPOLB
SCHEMBL12529018 0.90 CA12 (0.63) MCHR1HRH3RAB9ANPC1ALDH1A1
SCHEMBL12529014 0.90 MCHR1 (0.65) MCHR1HRH3MAPTSMN1; SMN2
SCHEMBL12529046 0.89 MAPT (0.66) MCHR1HRH3ALDH1A1MAPTSMN1; SMN2
SCHEMBL12528997 0.89 TRPV1 (0.61) MCHR1HRH3MAPT
SCHEMBL12529071 0.88 MCHR1 (0.57) MCHR1HRH3MAPTSMN1; SMN2POLB
SCHEMBL12529031 0.88 TRPV1 (0.58) MCHR1MAPTSMN1; SMN2
SCHEMBL12529045 0.88 MAPT (0.65) MCHR1ALDH1A1MAPTSMN1; SMN2

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 4 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-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 748/4885RAB9A 4386/4885

“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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