SCHEMBL12528979

SCHEMBL12528979

COc1cc(N2CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 7/20 0.48
▸ MAPT P10636 5/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ HTR1A P08908 4/20 0.46
▸ HTR1D P28221 4/20 0.46
▸ HTR1B P28222 4/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR6 P50406 2/20 0.46
▸ PDGFRB P09619 1/20 0.45
▸ KIT P10721 1/20 0.45

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 0.86 MCHR1 (0.56) MCHR1MAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL12529045 0.85 MAPT (0.65) MCHR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12529041 0.85 CA12 (0.61) MCHR1MAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL12529040 0.83 CA12 (0.59) MCHR1MAPTCA12CA1CA2
SCHEMBL12529076 0.83 HTR1B (0.55) MCHR1MAPTSMN1; SMN2LMNACA12
SCHEMBL12529069 0.82 MCHR1 (0.53) MCHR1MAPTSMN1; SMN2CA12CA1
SCHEMBL12529027 0.82 MAPT (0.62) MCHR1MAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL12528993 0.82 MCHR1 (0.65) MCHR1MAPTMEN1KMT2ACA12
SCHEMBL12529075 0.82 HTR1A (0.62) MCHR1MAPTHTR1AHTR1DHTR1B
SCHEMBL12529055 0.82 MAPT (0.66) MCHR1MAPTSMN1; SMN2MEN1KMT2A

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 5 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

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 2068/4885MAPT 4800/4885SMN1; 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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