SCHEMBL6124261

SCHEMBL6124261

COc1nc(C(C)C)ccc1-n1cnc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.53
PSEN2 P49810 18/20 0.53
APH1B Q8WW43 18/20 0.53
NCSTN Q92542 18/20 0.53
APH1A Q96BI3 18/20 0.53
PSENEN Q9NZ42 18/20 0.53
APP P05067 2/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL12258199 0.87 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13057230 0.86 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6127800 0.83 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL154721 0.82 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909536 0.79 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13457630 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL512985 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021828 0.79 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021981 0.79 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18538110 0.79 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF NOVARTIS AG (CH) 2023-09-21 US disclosed
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF NOVARTIS AG (CH) 2023-09-21 US disclosed
US-11117884-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2021-09-14 US disclosed
US-20200179511-A1 BCMA-TARGETING AGENT, AND COMBINATION THERAPY WITH A GAMMA SECRETASE INHIBITOR NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-06-11 US disclosed
US-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 US disclosed
US-10472346-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2019-11-12 US disclosed
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 US disclosed
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 US disclosed
WO-2016070107-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION (US) 2016-05-06 WO disclosed
US-9096582-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP (US) 2015-08-04 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-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-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-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 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 (14 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 PSEN1 3/4885PSEN2 4/4885APH1B 6/4885
US-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, GSAP PSEN1 6/4885PSEN2 8/4885APH1B 7/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 8/4885APH1B 5/4885
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF EPCAM, CD40, BCR PSEN1 4521/4885PSEN2 4758/4885APH1B 4252/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 9/4885APH1B 7/4885
US-10472346-B2 Potent gamma-secretase modulators BACE1, BACE2, APP PSEN1 4/4885PSEN2 7/4885APH1B 8/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 8/4885APH1B 9/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 8/4885APH1B 5/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 7/4885APH1B 8/4885
US-11117884-B2 Potent gamma-secretase modulators BACE1, BACE2, GSAP PSEN1 6/4885PSEN2 8/4885APH1B 7/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 8/4885APH1B 9/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 6/4885
US-20200179511-A1 BCMA-TARGETING AGENT, AND COMBINATION THERAPY WITH A GAMMA SECRETASE INHIBITOR BACE1, BACE2, GSAP PSEN1 6/4885PSEN2 12/4885APH1B 7/4885
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP PSEN1 4/4885PSEN2 7/4885APH1B 8/4885

“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.