SCHEMBL1749471

SCHEMBL1749471

CSc1cccc(C2=CCN(C(=O)Nc3ccc(N4CCC(N(C)C)C4)cc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 11/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NAMPT P43490 5/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL12547527 0.88 MCHR1 (0.52) MCHR1ALDH1A1NPC1ALOX15RAB9A
SCHEMBL12531671 0.86 MCHR1 (0.49) MCHR1ALDH1A1NPC1ALOX15RAB9A
SCHEMBL1748972 0.86 MCHR1 (0.49) MCHR1ALDH1A1NPC1ALOX15RAB9A
SCHEMBL12528831 0.83 ALDH1A1 (0.60) MCHR1ALDH1A1NPC1ALOX15RAB9A
SCHEMBL12528804 0.83 MCHR1 (0.57) MCHR1ALDH1A1NPC1ALOX15RAB9A
SCHEMBL12531693 0.82 MCHR1 (0.47) MCHR1ALDH1A1NPC1ALOX15RAB9A
SCHEMBL12531701 0.80 MCHR1 (0.52) MCHR1ALDH1A1NPC1ALOX15RAB9A
SCHEMBL12547072 0.79 MCHR1 (0.52) MCHR1ALDH1A1NPC1ALOX15RAB9A
SCHEMBL12531699 0.79 MCHR1 (0.46) MCHR1ALDH1A1NPC1ALOX15RAB9A
SCHEMBL12531684 0.78 MCHR1 (0.52) MCHR1ALDH1A1NPC1ALOX15RAB9A

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 MCHR1 2068/4885ALDH1A1 374/4885NPC1 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.

Send feedback