SCHEMBL147186

SCHEMBL147186

CCOC(CN)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
TAAR1 Q96RJ0 4/20 0.48
HTR2A P28223 2/20 0.48
NOS2 P35228 1/20 0.44
SLC6A2 P23975 1/20 0.41
HRH1 P35367 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL3408278 0.83 LMNA (0.46) HTR2ASLC6A2HRH1L3MBTL1LMNA
SCHEMBL27389987 0.83 LMNA (0.46) HTR2ASLC6A2HRH1L3MBTL1LMNA
SCHEMBL2911081 0.81 CHRNB2 (0.49) CHRNB2CHRNA4TAAR1HTR2ANOS2
SCHEMBL5831230 0.79 GSR (0.50) L3MBTL1LMNA
SCHEMBL28768889 0.79 L3MBTL1 (0.44) L3MBTL1LMNA
SCHEMBL23868114 0.79 GSR (0.50) L3MBTL1LMNA
SCHEMBL10986680 0.79 L3MBTL1 (0.40) HTR2ASLC6A2HRH1L3MBTL1LMNA
SCHEMBL1609920 0.79 L3MBTL1 (0.40) HTR2ASLC6A2HRH1L3MBTL1LMNA
SCHEMBL21625269 0.79 CASR (0.44) SLC6A2L3MBTL1LMNA
SCHEMBL913620 0.78 TAAR1 (0.52) CHRNB2CHRNA4TAAR1HTR2ANOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143824-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2013-06-06 US claimed
US-20120058953-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2012-03-08 US claimed
US-20110039324-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2011-02-17 US claimed
US-20090148921-A1 Compositions and methods for enhancing apoptosis GENENTECH, INC. (US) 2009-06-11 US claimed
EP-1590666-B1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH INC (US) 2008-07-09 EP claimed
EP-1590666-A4 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH INC (US) 2006-07-26 EP claimed
EP-1590666-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS Genentech, Inc. (US) 2005-11-02 EP claimed
US-20040171554-A1 Compositions and methods for enhancing apoptosis GENENTECH, INC. 2004-09-02 US claimed
WO-2004072641-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2004-08-26 WO claimed
WO-2013089689-A1 CONSTITUENT OF DESMODIUM ELEGANS AND METHODS OF USE KNELLER BRUCE W (US) 2013-06-20 WO disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 US disclosed
US-20110039324-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2011-02-17 US disclosed
EP-2220100-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälisch-Technische Hochschule Aachen (DE) 2010-08-25 EP disclosed
WO-2009077462-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2009-06-25 WO disclosed
EP-1590666-B1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH INC (US) 2008-07-09 EP 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA CHRNB2 4868/4885CHRNA4 4880/4885TAAR1 4116/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 CHRNB2 4871/4885CHRNA4 4878/4885TAAR1 4006/4885

“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.