SCHEMBL2637652

SCHEMBL2637652

CCCCS(=O)(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 7/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 2/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 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
SCHEMBL2891211 0.81 CYP1A2 (0.55) ALDH1A1LMNAHTTTSHRCYP1A2
SCHEMBL13411085 0.79 ALDH1A1 (0.50) NPC1ALDH1A1LMNAKDM4EHTT
SCHEMBL10799325 0.78 S1PR1 (0.42) NPC1LMNACYP1A2
SCHEMBL7132578 0.78 L3MBTL1 (0.44) NPC1ALDH1A1LMNAKDM4EHTT
SCHEMBL734812 0.78 L3MBTL1 (0.44) NPC1ALDH1A1LMNAKDM4EHTT
SCHEMBL1564005 0.77 NPC1 (0.48) NPC1ALDH1A1LMNAKDM4EHTT
SCHEMBL1564007 0.77 NPC1 (0.45) NPC1ALDH1A1LMNAKDM4EHTT
SCHEMBL5295954 0.77 CYP1A2 (0.54) ALDH1A1LMNAHTTTSHRCYP1A2
SCHEMBL13411084 0.75 NPC1 (0.44) NPC1ALDH1A1LMNAKDM4EHTT
SCHEMBL25939641 0.75 ALDH1A1 (0.49) ALDH1A1LMNAKDM4EMAPTTSHR

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 4 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
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 NPC1 1504/4885ALDH1A1 286/4885LMNA 2677/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 NPC1 1718/4885ALDH1A1 374/4885LMNA 2573/4885

“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.