SCHEMBL269267

SCHEMBL269267

CC(C)(C)C(=O)c1ccc2cc(C(C)(C)C(F)(F)F)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.44
ACHE P22303 1/20 0.38
GABBR2 O75899 4/20 0.37
GABBR1 Q9UBS5 4/20 0.37
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
CYP17A1 P05093 2/20 0.34
CYP3A4 P08684 2/20 0.34
PDE2A O00408 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL269488 0.86 PTPN1 (0.43) PTPN1ACHE
SCHEMBL269659 0.83 ACHE (0.46) PTPN1ACHE
SCHEMBL16722810 0.82 CES2 (0.46) PTPN1GABBR2GABBR1GABRB1GABRB2
SCHEMBL269137 0.82 PTPN1 (0.40) PTPN1ACHEGABBR2GABBR1GABRB1
SCHEMBL284094 0.81 ALDH1A1 (0.43) PTPN1ACHE
SCHEMBL269136 0.76 MEN1 (0.35) ACHEGABBR2GABBR1GABRB1GABRB2
SCHEMBL855617 0.75 CES2 (0.61) PTPN1GABBR2GABBR1GABRB1GABRB2
SCHEMBL20507035 0.74 MEN1 (0.53) CES2CES1CYP3A4
SCHEMBL10458011 0.74 CYP2A6 (0.56) CES2CES1CA2
SCHEMBL15745796 0.72 ESR1 (0.48) PTPN1ACHECES2CES1CA2

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
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 PTPN1 2258/4885ACHE 1793/4885GABBR2 475/4885

“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.