SCHEMBL266084

SCHEMBL266084

O=CCc1ccc2cc(Br)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.49
HDAC1 Q13547 6/20 0.48
HDAC2 Q92769 6/20 0.48
TLR2 O60603 1/20 0.43
ERN1 O75460 2/20 0.36
CYP2A6 P11509 3/20 0.35
TYMS P04818 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27779108 0.80 BACE1 (0.53) BACE1HDAC1HDAC2TLR2CYP2A6
SCHEMBL28313335 0.79 HDAC1 (0.45) BACE1HDAC1HDAC2TLR2ERN1
SCHEMBL16974286 0.79 HDAC1 (0.43) BACE1HDAC1HDAC2TLR2ERN1
SCHEMBL2322461 0.78 BACE1 (0.55) BACE1HDAC1HDAC2TLR2CYP2A6
SCHEMBL1599686 0.77 BACE1 (0.58) BACE1HDAC1HDAC2TLR2CYP2A6
SCHEMBL14925243 0.77 BACE1 (0.53) BACE1HDAC1HDAC2TLR2CYP2A6
SCHEMBL14780983 0.77 BACE1 (0.53) BACE1HDAC1HDAC2TLR2CYP2A6
SCHEMBL30718905 0.77 BACE1 (0.53) BACE1HDAC1HDAC2TLR2CYP2A6
SCHEMBL1599323 0.77 BACE1 (0.53) BACE1HDAC1HDAC2TLR2CYP2A6
SCHEMBL5050008 0.77 BACE1 (0.53) BACE1HDAC1HDAC2TLR2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
EP-2499115-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
WO-2011091446-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-07-28 WO disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO 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

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 BACE1 1255/4885HDAC1 2344/4885HDAC2 2280/4885

“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.