SCHEMBL1328034

SCHEMBL1328034

CCc1cccc(CC)c1-c1cc(C)c(CN2CCCCC2CCCCc2ccccc2)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
OPRK1 P41145 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CFB P00751 1/20 0.36
OPRD1 P41143 1/20 0.35
CD274 Q9NZQ7 2/20 0.35
CRHR1 P34998 1/20 0.35
SLC6A4 P31645 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
C5AR1 P21730 1/20 0.35

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
SCHEMBL1327493 0.94 MEN1 (0.46) MEN1KMT2AHSD17B10ALDH1A1NPSR1
SCHEMBL1330164 0.88 CRHR1 (0.38) HSD17B10ALDH1A1OPRK1OPRD1CD274
SCHEMBL1328912 0.88 C5AR1 (0.40) MEN1KMT2AHSD17B10ALDH1A1NPSR1
SCHEMBL1327626 0.85 C5AR1 (0.41) MEN1KMT2AHSD17B10ALDH1A1NPSR1
SCHEMBL1327727 0.81 C5AR1 (0.42) MEN1KMT2AHSD17B10ALDH1A1NPSR1
SCHEMBL2142255 0.77 C5AR1 (0.41) CD274C5AR1
SCHEMBL1327969 0.76 C5AR1 (0.41) HSD17B10ALDH1A1CD274CRHR1LMNA
SCHEMBL1328151 0.74 OPRD1 (0.39) MEN1KMT2AHSD17B10ALDH1A1NPSR1
SCHEMBL2137925 0.73 C5AR1 (0.43) MEN1KMT2AALDH1A1CFBCD274
SCHEMBL2141586 0.73 C5AR1 (0.43) MEN1KMT2AALDH1A1CFBCD274

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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 MEN1 3563/4885KMT2A 3960/4885HSD17B10 4436/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MEN1 3563/4885KMT2A 3960/4885HSD17B10 4436/4885

“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.