SCHEMBL2108392

SCHEMBL2108392

CCCC1CCc2ccccc2O1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
HTR1A P08908 8/20 0.50
SIGMAR1 Q99720 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR1D P28221 6/20 0.47

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
SCHEMBL29445402 1.00 CA2 (0.52) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8510380 0.90 CA2 (0.50) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL3641960 0.89 CYP1A2 (0.51) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL12064816 0.87 CYP1A2 (0.54) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL6051185 0.86 CA2 (0.55) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL14271049 0.86 CA2 (0.55) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8935402 0.83 CA2 (0.52) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8935393 0.83 CA2 (0.52) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL407503 0.83 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8599906 0.83 CA2 (0.52) CA2HTR1ASIGMAR1ADRA2AADRA2B

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-9617597-B2 Genetic susceptibility variants associated with cardiovascular disease DECODE GENETICS EHF (IS) 2017-04-11 US disclosed
US-8158362-B2 Methods of diagnosing susceptibility to myocardial infarction and screening for an LTA4H haplotype DECODE GENETICS EHF. (IS) 2012-04-17 US disclosed
US-7838533-B2 Azaindole inhibitors of MTP and ApoB MERCK PATENT GMBH (DE) 2010-11-23 US disclosed
US-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment DECODE GENETICS EHF. (IS) 2010-08-26 US disclosed
US-20100120045-A1 GENETIC VARIANTS USEFUL FOR RISK ASSESSMENTS OF CORONARY ARTERY DISEASE AND MYOCARDIAL INFARCTION DECODE GENETICS EHF (IS) 2010-05-13 US disclosed
US-20100068705-A1 GENETIC SUSCEPTIBILITY VARIANTS ASSOCIATED WITH CARDIOVASCULAR DISEASE DECODE GENETICS EHF (IS) 2010-03-18 US disclosed
US-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment DECODE GENETICS EHF. (IS) 2008-11-27 US disclosed
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS, INC. (IS) 2007-12-06 US disclosed
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment DECODE GENETICS, INC. (IE) 2006-01-26 US disclosed
US-20050272051-A1 Methods of preventing or treating recurrence of myocardial infarction DECODE GENETICS EHF. (IS) 2005-12-08 US disclosed
US-5925662-A OXIDASE INHIBITORS SYNTHELABO (FR) 1999-07-20 US disclosed
EP-0859776-A1 COMPOUNDS DERIVED FROM OXAZOLIDIN-2-ONE AND PREPARATION AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1998-08-26 EP disclosed
WO-1997017347-A1 COMPOUNDS DERIVED FROM OXAZOLIDIN-2-ONE AND PREPARATION AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-05-15 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-20100120045-A1 GENETIC VARIANTS USEFUL FOR RISK ASSESSMENTS OF CORONARY ARTERY DISEASE AND MYOCARDIAL INFARCTION TNNI3, TSG101, ALDH1B1 CA2 2460/4885HTR1A 2049/4885SIGMAR1 4265/4885
US-20090036481-A1 Novel Azaindole Inhibitors of Mtp and Apob APOB, MTPN, HDLBP CA2 4883/4885HTR1A 1619/4885SIGMAR1 3262/4885
US-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment ALOX15B, ALOX15, ALOX5 CA2 4585/4885HTR1A 1015/4885SIGMAR1 4724/4885
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment ALOX15B, ALOX15, ALOX5 CA2 4585/4885HTR1A 1015/4885SIGMAR1 4724/4885
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment PLAAT3, PLAAT2, PLA2G7 CA2 3479/4885HTR1A 1697/4885SIGMAR1 4864/4885
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment PLAAT3, PLAAT2, PLA2G7 CA2 3721/4885HTR1A 1504/4885SIGMAR1 4851/4885

“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.