Sugi Predict

Sugi Predict / Compounds / SCHEMBL6124277

SCHEMBL6124277

SCHEMBL6124277

COc1cc(C(C)C)cnc1-n1cnc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ PSEN1 P49768 17/20 0.41
▸ PSEN2 P49810 17/20 0.41
▸ APH1B Q8WW43 17/20 0.41
▸ NCSTN Q92542 17/20 0.41
▸ APH1A Q96BI3 17/20 0.41
▸ PSENEN Q9NZ42 17/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL6127790 0.82 PSEN1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL12913454 0.82 CYP2E1 (0.37) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL195517 0.79 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12946517 0.79 CYP2E1 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL3754489 0.79 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9261825 0.79 KCNJ1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12668348 0.77 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12913457 0.77 KDM4E (0.46) ALDH1A1LMNATSHRMAOAMAOB
SCHEMBL1237611 0.77 PSEN1 (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL6127879 0.77 PSEN1 (0.56) ALDH1A1PSEN1PSEN2APH1BNCSTN

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 31 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-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-20200055948-A1 CELLS EXPRESSING A BCMA-TARGETING CHIMERIC ANTIGEN RECEPTOR, AND COMBINATION THERAPY WITH A GAMMA SECRETASE INHIBITOR NOVARTIS AG (CH) 2020-02-20 — — US disclosed
US-9096582-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP (US) 2015-08-04 — — US disclosed
US-20140296311-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2014-10-02 — — US disclosed
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 — — US disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 — — 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-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 — — US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 — — 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-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 — — US disclosed
US-20100298381-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
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
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 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 (12 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 ALDH1A1 2217/4885PSEN1 3/4885PSEN2 4/4885
US-20200055948-A1 CELLS EXPRESSING A BCMA-TARGETING CHIMERIC ANTIGEN RECEPTOR, AND COMBINATION THERAPY WITH A GAMMA SECRETASE INHIBITOR BACE1, BACE2, GSAP ALDH1A1 3702/4885PSEN1 33/4885PSEN2 184/4885
US-20230295322-A1 BINDING MOLECULES AGAINST BCMA AND USES THEREOF EPCAM, CD40, BCR ALDH1A1 2738/4885PSEN1 4521/4885PSEN2 4758/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ALDH1A1 2161/4885PSEN1 4/4885PSEN2 8/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1882/4885PSEN1 3/4885PSEN2 9/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1705/4885PSEN1 3/4885PSEN2 8/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 3613/4885PSEN1 3/4885PSEN2 7/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 3991/4885PSEN1 3/4885PSEN2 8/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN ALDH1A1 4290/4885PSEN1 4/4885PSEN2 9/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2217/4885PSEN1 3/4885PSEN2 4/4885
US-20140296311-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1640/4885PSEN1 3/4885PSEN2 5/4885
US-20200179511-A1 BCMA-TARGETING AGENT, AND COMBINATION THERAPY WITH A GAMMA SECRETASE INHIBITOR BACE1, BACE2, GSAP ALDH1A1 4555/4885PSEN1 6/4885PSEN2 12/4885

“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.