SCHEMBL12866824

SCHEMBL12866824

CC(C)(C)Cc1cccc(-c2ccccc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.49
▸ CYP2A6 P11509 1/20 0.47
▸ CASR P41180 1/20 0.45
▸ FFAR1 O14842 4/20 0.43
▸ LIPG Q9Y5X9 1/20 0.41
▸ HTR7 P34969 4/20 0.41
▸ MAOB P27338 2/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.38
▸ AR P10275 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL12881927 0.81 AOC3 (0.50) AOC3CYP2A6CASRFFAR1LIPG
SCHEMBL3643354 0.81 AOC3 (0.52) AOC3CYP2A6CASRFFAR1LIPG
SCHEMBL12866833 0.80 DRD2 (0.48) CASRFFAR1LIPGHTR7PDK2
SCHEMBL197793 0.80 GGPS1 (0.44) —
SCHEMBL14402479 0.79 AOC3 (0.48) AOC3CYP2A6CASRFFAR1LIPG
SCHEMBL20781840 0.78 CSNK2A1 (0.62) CYP2A6HTR7MAOB
SCHEMBL12866818 0.78 HTR7 (0.64) CYP2A6CASRFFAR1HTR7
SCHEMBL12866839 0.78 SCN9A (0.47) FFAR1HTR7CLK4ARSCN9A
SCHEMBL14402842 0.78 HSD11B1 (0.52) AOC3CYP2A6CASRFFAR1LIPG
SCHEMBL18014701 0.77 TAAR1 (0.50) AOC3MAOB

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 3 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
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 — — 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 AOC3 4031/4885CYP2A6 776/4885CASR 1904/4885
US-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT AOC3 2004/4885CYP2A6 1530/4885CASR 4186/4885

“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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