SCHEMBL12529006

SCHEMBL12529006

CN(C)C1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4Cl)CC3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MCHR1 Q99705 10/20 0.57
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ HTR1D P28221 1/20 0.50
▸ HTR1B P28222 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR7 P34969 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ TRPV1 Q8NER1 2/20 0.48
▸ NAMPT P43490 2/20 0.48

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
SCHEMBL12529074 0.93 MCHR1 (0.53) SMN1; SMN2MCHR1HRH3HTR1AHTR1D
SCHEMBL12529020 0.90 MCHR1 (0.57) SMN1; SMN2MCHR1NPC1ALDH1A1RAB9A
SCHEMBL12529017 0.89 POLB (0.62) SMN1; SMN2MCHR1HRH3MEN1KMT2A
SCHEMBL12528993 0.88 MCHR1 (0.65) MCHR1HRH3MEN1KMT2ANAMPT
SCHEMBL14415286 0.88 MCHR1 (0.56) SMN1; SMN2MCHR1HTR1AHTR1DHTR1B
SCHEMBL12529014 0.87 MCHR1 (0.65) SMN1; SMN2MCHR1HRH3HTR1AHTR1D
SCHEMBL12529040 0.87 CA12 (0.59) MCHR1RAB9AHTR1AHTR1DHTR1B
SCHEMBL12529029 0.87 TRPV1 (0.60) MCHR1HRH3TRPV1
SCHEMBL12529035 0.87 MCHR1 (0.54) SMN1; SMN2MCHR1HRH3MEN1KMT2A
SCHEMBL12529055 0.86 MAPT (0.66) SMN1; SMN2MCHR1ALDH1A1NPSR1HRH3

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 SMN1; SMN2 1946/4885MCHR1 2068/4885NPC1 1718/4885

“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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