SCHEMBL2637528

SCHEMBL2637528

CC(=O)Nc1cccc(C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
DRD2 P14416 3/20 0.54
MCHR1 Q99705 8/20 0.53
TP53 P04637 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
SCN9A Q15858 1/20 0.52
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
LMNA P02545 1/20 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
SCHEMBL6485790 0.90 QDPR (0.56) NPC1DRD2MCHR1TP53RAB9A
SCHEMBL4399848 0.86 DRD2 (0.59) DRD2MCHR1SCN9A
SCHEMBL16835012 0.86 DRD4 (0.55) NPC1DRD2TP53RAB9ASMN1; SMN2
SCHEMBL4765169 0.86 DRD2 (0.62) DRD2
SCHEMBL6223115 0.85 NPC1 (0.54) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL16835184 0.84 NPC1 (0.53) NPC1DRD2TP53RAB9ASMN1; SMN2
SCHEMBL16835086 0.84 NPC1 (0.50) NPC1DRD2TP53RAB9ASMN1; SMN2
SCHEMBL2878255 0.83 NAMPT (0.57) NPC1DRD2MCHR1RAB9AMAPT
SCHEMBL16835021 0.82 HRH3 (0.52) NPC1DRD2TP53RAB9ASMN1; SMN2
SCHEMBL3336956 0.81 DRD2 (0.66) DRD2MCHR1

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 8 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
EP-1590326-A4 SUBSTITUTED ALKYL AMIDO PIPERIDINES LUNDBECK & CO AS H (DK) 2008-04-30 EP 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
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 EP disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 WO disclosed
WO-2004064774-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-08-05 WO disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 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 (2 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-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R NPC1 1498/4885DRD2 271/4885MCHR1 1/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 NPC1 1718/4885DRD2 1574/4885MCHR1 2068/4885

“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.