SCHEMBL1328994

SCHEMBL1328994

CCOC(c1ccccc1C)c1cnc(-c2c(CC)cccc2CC)cc1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 5/20 0.36
MAPT P10636 4/20 0.33
TP53 P04637 1/20 0.33
S1PR1 P21453 2/20 0.32
ESR1 P03372 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MEN1 O00255 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1328085 0.79 C5AR1 (0.36) C5AR1MAPTS1PR1MEN1GABRP
SCHEMBL1327704 0.76 C5AR1 (0.38) C5AR1MAPTS1PR1MEN1GABRP
SCHEMBL1328332 0.76 C5AR1 (0.41) C5AR1HPGDTSHRSMN1; SMN2
SCHEMBL1327100 0.76 C5AR1 (0.38) C5AR1L3MBTL1POLB
SCHEMBL2140675 0.75 C5AR1 (0.36) C5AR1MAPTS1PR1MEN1GABRP
SCHEMBL2068766 0.74 C5AR1 (0.39) C5AR1MAPTTP53S1PR1MEN1
SCHEMBL1328553 0.74 C5AR1 (0.39) C5AR1S1PR1
SCHEMBL1328622 0.72 C5AR1 (0.41) C5AR1MAPTS1PR1MEN1GABRP
SCHEMBL6522026 0.71 S1PR1 (0.41) C5AR1S1PR1
SCHEMBL1328940 0.70 NPSR1 (0.43) C5AR1MAPTFFAR4MEN1KMT2A

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 C5AR1 2/4885MAPT 4726/4885TP53 3878/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MAPT 4726/4885TP53 3878/4885

“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.