SCHEMBL1328913

SCHEMBL1328913

CCc1cccc(CC)c1-c1cc(OC)c(COc2cccc(F)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 3/20 0.39
FFAR1 O14842 1/20 0.39
MAP4K1 Q92918 5/20 0.38
TGFBR1 P36897 1/20 0.38
C5AR1 P21730 3/20 0.37
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP10 Q53GL7 2/20 0.36
PARP15 Q460N3 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL1327858 0.89 MRGPRX4 (0.41) HTR1ATGFBR1C5AR1LMNAHPGD
SCHEMBL1328523 0.87 C5AR1 (0.40) ALDH1A1KMT2AMAP4K1TGFBR1C5AR1
SCHEMBL1328404 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AFFAR1TGFBR1C5AR1
SCHEMBL1327417 0.84 ATP4A (0.45) ALDH1A1SLC6A4KMT2AC5AR1MEN1
SCHEMBL1328504 0.84 KDM4E (0.42) ALDH1A1SLC6A2SLC6A4KMT2ATGFBR1
SCHEMBL1329473 0.83 RECQL (0.43) HTR1AC5AR1KDM4ETDP1L3MBTL1
SCHEMBL1328412 0.83 MAPT (0.39) ALDH1A1HTR1AKMT2ATGFBR1C5AR1
SCHEMBL1328668 0.83 TGFBR1 (0.46) ALDH1A1KMT2ATGFBR1C5AR1MEN1
SCHEMBL1330224 0.82 ABCB1 (0.44) HTR1ASLC6A2SLC6A4SLC6A3C5AR1
SCHEMBL1329221 0.81 C5AR1 (0.42) ALDH1A1FFAR1TGFBR1C5AR1MRGPRX4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 ALDH1A1 1966/4885HTR1A 199/4885SLC6A2 2572/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ALDH1A1 1966/4885HTR1A 199/4885SLC6A2 2572/4885

“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.