SCHEMBL1749072

SCHEMBL1749072

CN1CCCC(Oc2ccc(C(=O)O)cc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
CYP2D6 P10635 1/20 0.44
POLB P06746 1/20 0.44
SLC5A7 Q9GZV3 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MCHR1 Q99705 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL1749280 0.94 LMNA (0.52) HTTLMNAMAPK1RAB9AHRH3
SCHEMBL6206666 0.92 PDE4B (0.43) HTTLMNAMAPK1RAB9AL3MBTL1
SCHEMBL1750287 0.86 MAPK1 (0.47) HTTLMNAMAPK1RAB9AL3MBTL1
SCHEMBL1750158 0.83 LMNA (0.57) HTTLMNAMAPK1RAB9AHRH3
SCHEMBL15905013 0.83 PDE4D (0.57) HTTLMNAMAPK1RAB9AHRH3
SCHEMBL1749727 0.81 LMNA (0.50) HTTLMNAMAPK1RAB9AHRH3
SCHEMBL13419294 0.81 HTR2C (0.49) HTTMEN1KMT2A
SCHEMBL1750194 0.81 RAB9A (0.49) HTTLMNAMAPK1RAB9AHRH3
SCHEMBL13419689 0.80 HTR2C (0.44)
SCHEMBL24244897 0.79 L3MBTL1 (0.53) HTTLMNAL3MBTL1MEN1KMT2A

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 HTT 1929/4885LMNA 2677/4885MAPK1 496/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 HTT 1798/4885LMNA 2573/4885MAPK1 745/4885

“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.