SCHEMBL2338895

SCHEMBL2338895

O=c1onc(-c2cc(C(F)(F)F)ccn2)n1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
P2RX7 Q99572 1/20 0.39
CNR2 P34972 4/20 0.37
PLAT P00750 1/20 0.37
RIPK3 Q9Y572 1/20 0.36
MDM2 Q00987 3/20 0.36
CNR1 P21554 1/20 0.36
OPRK1 P41145 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CYP17A1 P05093 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PIM1 P11309 1/20 0.35
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL2338354 0.80 NPSR1 (0.35) GRIN1GRIN2BP2RX7PLATHCRTR1
SCHEMBL2332470 0.80 NPSR1 (0.35) GRIN1GRIN2BPLATHCRTR1HCRTR2
SCHEMBL2336317 0.80 NPSR1 (0.37) GRIN1GRIN2BP2RX7PLATHCRTR1
SCHEMBL2341812 0.79 ALDH1A1 (0.49) GRIN1GRIN2BMDM2OPRK1
SCHEMBL2336622 0.78 ALDH1A1 (0.39) GRIN1GRIN2BPLATHCRTR1HCRTR2
SCHEMBL2334760 0.77 NPSR1 (0.42) GRIN1GRIN2BP2RX7PLATHCRTR1
SCHEMBL2339459 0.76 ALDH1A1 (0.40) MDM2HCRTR1HCRTR2
SCHEMBL2334759 0.76 NPSR1 (0.39) P2RX7PLATHCRTR1HCRTR2CYP17A1
SCHEMBL2340988 0.76 SYK (0.40) P2RX7PLATHCRTR1HCRTR2CYP17A1
SCHEMBL2338291 0.75 ALDH1A1 (0.39) MDM2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
EP-2215086-B1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
EP-2215086-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 WO 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 (1 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-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST C5, PRDX1, PLPBP GRIN1 3446/4885GRIN2B 3903/4885P2RX7 59/4885

“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.