SCHEMBL6124231

SCHEMBL6124231

Cc1cn(-c2ccc(C(C)C)c3cnsc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
PSEN1 P49768 18/20 0.34
PSEN2 P49810 17/20 0.34
APH1B Q8WW43 17/20 0.34
NCSTN Q92542 17/20 0.34
APH1A Q96BI3 17/20 0.34
PSENEN Q9NZ42 17/20 0.34
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL6124266 0.84
SCHEMBL10280852 0.83 CYP2E1 (0.38) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL6124254 0.80 PSEN1 (0.36) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL6124679 0.78 CYP2E1 (0.34) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL6124249 0.74 PSEN1 (0.40) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL6124235 0.74 CYP2E1 (0.35) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL8737225 0.73 GPR55 (0.38)
SCHEMBL6124112 0.73
SCHEMBL6124241 0.71 PSEN1 (0.38) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL6127830 0.68 CPB1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US 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 (8 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 CYP2E1 3864/4885CYP2A6 3144/4885PSEN1 3/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 4096/4885CYP2A6 3065/4885PSEN1 3/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 2800/4885CYP2A6 1786/4885PSEN1 3/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 3713/4885CYP2A6 3007/4885PSEN1 3/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 4096/4885CYP2A6 3065/4885PSEN1 3/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 3238/4885CYP2A6 2783/4885PSEN1 3/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 4291/4885CYP2A6 3633/4885PSEN1 3/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 3864/4885CYP2A6 3144/4885PSEN1 3/4885

“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.