SCHEMBL12528831

SCHEMBL12528831

CN(C)C1CCN(c2ccc(NC(=O)N3CC=C(c4ccc(F)cc4)CC3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ CASP3 P42574 1/20 0.60
▸ SENP8 Q96LD8 1/20 0.60
▸ SENP7 Q9BQF6 1/20 0.60
▸ SENP6 Q9GZR1 1/20 0.60
▸ MCHR1 Q99705 11/20 0.53
▸ NAMPT P43490 5/20 0.51
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 1/20 0.44

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
SCHEMBL12528971 0.93 ALDH1A1 (0.58) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL12528804 0.91 MCHR1 (0.57) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL12531691 0.88 MCHR1 (0.52) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL12547527 0.85 MCHR1 (0.52) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL12531684 0.84 MCHR1 (0.52) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL12529018 0.84 CA12 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12531693 0.84 MCHR1 (0.47) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL12528976 0.83 MCHR1 (0.55) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL1749471 0.83 MCHR1 (0.50) ALDH1A1NPC1ALOX15RAB9ASMN1; SMN2
SCHEMBL12531671 0.83 MCHR1 (0.49) ALDH1A1NPC1ALOX15RAB9ASMN1; 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 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 ALDH1A1 374/4885NPC1 1718/4885ALOX15 424/4885

“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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