SCHEMBL12528974

SCHEMBL12528974

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.59
▸ MCHR1 Q99705 4/20 0.57
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ PANK3 Q9H999 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA1 P00915 1/20 0.46

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 0.92 MCHR1 (0.56) HRH3MCHR1MAPTALDH1A1SMN1; SMN2
SCHEMBL12529046 0.84 MAPT (0.66) HRH3MCHR1MAPTALDH1A1SMN1; SMN2
SCHEMBL12529027 0.84 MAPT (0.62) HRH3MCHR1MAPTALDH1A1SMN1; SMN2
SCHEMBL12528993 0.84 MCHR1 (0.65) HRH3MCHR1MAPTPOLBMAPK1
SCHEMBL12529014 0.83 MCHR1 (0.65) HRH3MCHR1MAPTSMN1; SMN2KDM4E
SCHEMBL12529018 0.83 CA12 (0.63) HRH3MCHR1MAPTALDH1A1SMN1; SMN2
SCHEMBL1749206 0.82 MCHR1 (0.83) HRH3MCHR1
SCHEMBL12528997 0.82 TRPV1 (0.61) HRH3MCHR1MAPTNAMPT
SCHEMBL1749685 0.81 MCHR1 (0.63) HRH3MCHR1MAPTSMN1; SMN2LMNA
SCHEMBL14167600 0.81 NPY5R (0.58) HRH3MCHR1

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 3 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

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 HRH3 748/4885MCHR1 2068/4885MAPT 4800/4885

“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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