SCHEMBL1097170

SCHEMBL1097170

C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](O)C1.O=C(O)Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5078226 1.00 CYP2C19 (0.41) CYP2C19CYP2C9MAPTKMT2AHIF1A
SCHEMBL927772 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL8409146 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL927770 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL12159717 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL14026070 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL8870586 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL15061116 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL22375179 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
Water SCHEMBL28276387 0.92 CYP2C9 (0.38) CYP2C19CYP2C9

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-8153808-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 CYP2C19 1824/4885CYP2C9 2561/4885MAPT 1035/4885
US-20100160387-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 CYP2C19 1227/4885CYP2C9 1837/4885MAPT 2263/4885

“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.