SCHEMBL18014697

SCHEMBL18014697

COc1ccc(-c2ccccc2CC(C)(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.47
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ JAK2 O60674 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALOX5AP P20292 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ OXTR P30559 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ BRS3 P32247 1/20 0.40

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
SCHEMBL14007487 0.83 DPP4 (0.49) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL16629580 0.82 CYP2A6 (0.47) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL4619479 0.79 LMNA (0.50) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL21116042 0.79 TRPA1 (0.37) SCN9AALOX5APGRM5BRS3
SCHEMBL2735127 0.78 MKNK1 (0.47) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL2735125 0.78 LMNA (0.49) CYP2A6HSD17B1HSD17B2JAK2MKNK1
Hydrochloric Acid SCHEMBL212945 0.77 MKNK1 (0.46) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL10094614 0.76 CYP2A6 (0.61) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL22660623 0.76 HSD17B1 (0.55) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL13575392 0.76 L3MBTL1 (0.60) CYP2A6HSD17B1HSD17B2JAK2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 — — EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 — — 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 (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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 CYP2A6 776/4885HSD17B1 1051/4885HSD17B2 1345/4885

“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.

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