SCHEMBL264371

SCHEMBL264371

COC(=O)c1ccc2cc(C3(C)CC3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.50
HDAC1 Q13547 1/20 0.48
LCK P06239 1/20 0.48
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43
PLAU P00749 2/20 0.43
HGFAC Q04756 1/20 0.43
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL15956007 0.83 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL264372 0.82 CYP26A1 (0.57) KDM4ECYP26A1CYP26B1
SCHEMBL69025 0.81 PTPN11 (0.68) PTPN11HDAC1LCKCA1CA2
SCHEMBL29365729 0.81 PTPN11 (0.68) PTPN11HDAC1LCKCA1CA2
SCHEMBL3942652 0.81 LOXL2 (0.49) CA1CA2CA12CA7CA9
SCHEMBL8732524 0.79 PTPN11 (0.66) PTPN11LCKCA1CA2CA12
SCHEMBL9979782 0.77 PTPN11 (0.64) PTPN11HDAC1LCKCA1CA2
SCHEMBL262682 0.77 HTT (0.52) PTPN11HDAC1LCKCA1CA2
SCHEMBL1431767 0.76 KDM4E (0.42) CA1CA2CA12CA7CA9
SCHEMBL14667564 0.76 CA1 (0.48) CA1CA2CA12CA7CA9

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 11 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-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-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-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US disclosed
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP disclosed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 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
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 (3 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-20100267769-A1 Substituted Bicyclocarboxyamide Compounds TRPV1, OPRL1, CNR1 PTPN11 4176/4885HDAC1 1993/4885LCK 3088/4885
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 PTPN11 3427/4885HDAC1 2344/4885LCK 2076/4885
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 PTPN11 2178/4885HDAC1 399/4885LCK 869/4885

“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.