SCHEMBL263502

SCHEMBL263502

CCOC(=O)c1c[nH]c2cc(C(C)(C)C)ccc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.60
GABRB2 P47870 3/20 0.60
GABRB1 P18505 2/20 0.59
GABRA3 P34903 2/20 0.59
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CLEC4M Q9H2X3 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX12 P18054 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL28289169 0.90 GABRA1 (0.71) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL4743455 0.89 MEN1 (0.67) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL28287752 0.84 GABRA1 (0.66) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL30906939 0.82 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL1430520 0.82 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL1430217 0.82 GABRA1 (0.81) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL4742551 0.82 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL30906938 0.82 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL7294152 0.82 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL19518702 0.81 CYP1A2 (0.74) MEN1KMT2ACYP1A2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
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
EP-2044018-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS Pfizer Japan, Inc. (JP) 2009-04-08 EP disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2008007211-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-01-17 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 GABRA1 107/4885GABRB2 208/4885GABRB1 142/4885
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 GABRA1 412/4885GABRB2 341/4885GABRB1 379/4885

“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.