SCHEMBL269137

SCHEMBL269137

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.40
GABBR2 O75899 2/20 0.40
GABBR1 Q9UBS5 2/20 0.40
PTPN11 Q06124 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
ACHE P22303 1/20 0.35
MLYCD O95822 1/20 0.35
MAPT P10636 2/20 0.34
KCNJ11 Q14654 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
CYP17A1 P05093 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
SCHEMBL263986 0.87 PTPN1 (0.55) PTPN1PTPN11KDM4ETRPM8RARA
SCHEMBL263146 0.86 PTPN11 (0.54) PTPN11KDM4EPLAUCYP17A1CYP3A4
SCHEMBL284015 0.83 ALDH1A1 (0.40) PTPN1PTPN11KDM4E
SCHEMBL269267 0.82 PTPN1 (0.44) PTPN1GABBR2GABBR1GABRB1GABRB2
SCHEMBL269488 0.81 PTPN1 (0.43) PTPN1ACHE
SCHEMBL269659 0.78 ACHE (0.46) PTPN1ACHEMAPTRARBRARG
SCHEMBL16722810 0.78 CES2 (0.46) PTPN1GABBR2GABBR1KDM4EGABRB1
SCHEMBL4137247 0.73 KDM4E (0.66) GABBR2GABBR1KDM4EPLAUCYP3A4
SCHEMBL855617 0.71 CES2 (0.61) PTPN1GABBR2GABBR1KDM4EGABRB1
SCHEMBL4153130 0.71 KDM4E (0.62) GABBR2GABBR1KDM4EPLAUCYP3A4

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 2258/4885GABBR2 475/4885GABBR1 398/4885

“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.