SCHEMBL165556

SCHEMBL165556

Cc1csc([C@H]2CCCN2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.43
CHRM2 P08172 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
TAAR1 Q96RJ0 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
RAB9A P51151 1/20 0.36
NOS1 P29475 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL165557 1.00 BAZ2A (0.43) BAZ2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL3508711 1.00 BAZ2A (0.43) BAZ2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL2711440 0.95 BAZ2A (0.47) BAZ2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL2711437 0.95 BAZ2A (0.47) BAZ2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL12900540 0.79 ROCK2 (0.35) BAZ2ANOS1SMN1; SMN2
SCHEMBL2727625 0.78 BAZ2A (0.46) BAZ2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL6467325 0.78 BAZ2A (0.46) BAZ2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL6468058 0.77 BAZ2A (0.39) BAZ2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL2711107 0.77 BAZ2A (0.39) BAZ2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL2713119 0.77 RAB9A (0.44) BAZ2ARAB9A

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085571-B2 Nonpeptide HIV-1 protease inhibitors PURDUE RESEARCH FOUNDATION (US) 2015-07-21 US disclosed
US-9085571-B2 Nonpeptide HIV-1 protease inhibitors PURDUE RESEARCH FOUNDATION (US) 2015-07-21 US disclosed
US-20140315946-A1 NONPEPTIDE HIV-1 PROTEASE INHIBITORS PURDUE RESEARCH FOUNDATION 2014-10-23 US disclosed
US-20140315946-A1 NONPEPTIDE HIV-1 PROTEASE INHIBITORS PURDUE RESEARCH FOUNDATION 2014-10-23 US disclosed
US-8791135-B2 Nonpeptide HIV-1 protease inhibitors PURDUE RESEARCH FOUNDATION (US) 2014-07-29 US disclosed
US-8791135-B2 Nonpeptide HIV-1 protease inhibitors PURDUE RESEARCH FOUNDATION (US) 2014-07-29 US disclosed
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
WO-2010110817-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-09-30 WO disclosed
WO-2010110817-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-09-30 WO disclosed
EP-2205596-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2010-07-14 EP disclosed
WO-2010042892-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-04-15 WO disclosed
WO-2010042892-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-04-15 WO disclosed
WO-2010002994-A1 NONPEPTIDE HIV-1 PROTEASE INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2010-01-07 WO disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 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-20140315946-A1 NONPEPTIDE HIV-1 PROTEASE INHIBITORS DNPEP, PRSS1, SERPINB1 BAZ2A 615/4885CHRM2 4871/4885CHRM4 4779/4885
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 BAZ2A 19/4885CHRM2 4062/4885CHRM4 3716/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP BAZ2A 222/4885CHRM2 4335/4885CHRM4 4225/4885

“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.