SCHEMBL7826439

SCHEMBL7826439

COc1cnn(C(C)c2ccccc2)c(=O)c1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CREBBP Q92793 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ROCK2 O75116 3/20 0.42
SLC2A1 P11166 1/20 0.42
SLC2A2 P11168 1/20 0.42
SLC2A3 P11169 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MGLL Q99685 2/20 0.39
MAPK14 Q16539 1/20 0.39
NPBWR1 P48145 1/20 0.38

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
SCHEMBL7735556 0.82 ALDH1A1 (0.51) FAAHRAB9ASMN1; SMN2CREBBPALDH1A1
SCHEMBL12169426 0.81 FAAH (0.40) FAAHRAB9ASMN1; SMN2CREBBPALDH1A1
SCHEMBL13057448 0.76 MAPK14 (0.55) L3MBTL1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8076929 0.76 CREBBP (0.41) SMN1; SMN2CREBBPALDH1A1ROCK2MEN1
SCHEMBL8079619 0.75 CREBBP (0.44) FAAHRAB9ASMN1; SMN2CREBBPALDH1A1
SCHEMBL12712495 0.72 BRD4 (0.38) FAAHCREBBPROCK2
SCHEMBL15305628 0.72 FAAH (0.42) FAAHCREBBPALDH1A1ROCK2MEN1
SCHEMBL13057462 0.71 MAPK14 (0.50) L3MBTL1RAB9AALDH1A1MAPK14NPBWR1
SCHEMBL8070679 0.71 CREBBP (0.41) L3MBTL1RAB9ASMN1; SMN2CREBBPALDH1A1
SCHEMBL9953649 0.71 RAB9A (0.51) FAAHRAB9ASMN1; SMN2CREBBPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
WO-2010147969-A2 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
WO-2010147975-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
WO-2010147973-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
WO-2009073779-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 WO disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 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 (6 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 FAAH 468/4885L3MBTL1 3426/4885RAB9A 1002/4885
US-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 FAAH 419/4885L3MBTL1 3790/4885RAB9A 1242/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 FAAH 419/4885L3MBTL1 3790/4885RAB9A 1242/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 FAAH 447/4885L3MBTL1 3835/4885RAB9A 1091/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 FAAH 444/4885L3MBTL1 3817/4885RAB9A 1125/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 FAAH 468/4885L3MBTL1 3426/4885RAB9A 1002/4885

“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.