SCHEMBL6124129

SCHEMBL6124129

COc1cc(C(C)C)nnc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.35
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
SLC10A2 Q12908 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL25100520 0.86 SMPD3 (0.33) SMPD3
SCHEMBL6127823 0.79 GAA (0.35) HDAC4HDAC8POLBGAAGFER
SCHEMBL10280848 0.79 POLB (0.35) SMPD3HDAC4HDAC8POLBGAA
SCHEMBL24226822 0.75 TAAR1 (0.36) SMPD3ALDH1A1
SCHEMBL27439444 0.73 SLC10A2 (0.39) SMPD3HDAC4HDAC8POLBGAA
SCHEMBL12848583 0.71 NOS3 (0.34)
SCHEMBL12796017 0.71 CA1 (0.31)
SCHEMBL27455611 0.68 GCGR (0.36) SMPD3SLC10A2PDE3BPDE3A
SCHEMBL12299816 0.68 P2RX3 (0.41) SLC10A2ALDH1A1PDE3BPDE3A
SCHEMBL20780491 0.67 POLB (0.43) SMPD3POLBGAAGFERALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 US disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 US disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 EP 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-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 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-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-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 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-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 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

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 SMPD3 180/4885HDAC4 1007/4885HDAC8 1082/4885
US-11236106-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 SMPD3 1812/4885HDAC4 3127/4885HDAC8 1582/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SMPD3 43/4885HDAC4 968/4885HDAC8 914/4885
US-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SMPD3 70/4885HDAC4 980/4885HDAC8 950/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP SMPD3 64/4885HDAC4 1254/4885HDAC8 1396/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SMPD3 70/4885HDAC4 980/4885HDAC8 950/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SMPD3 133/4885HDAC4 1324/4885HDAC8 1468/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SMPD3 43/4885HDAC4 968/4885HDAC8 914/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SMPD3 171/4885HDAC4 1038/4885HDAC8 933/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 SMPD3 1812/4885HDAC4 3127/4885HDAC8 1582/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SMPD3 108/4885HDAC4 1474/4885HDAC8 1013/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 SMPD3 54/4885HDAC4 890/4885HDAC8 1003/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SMPD3 180/4885HDAC4 1007/4885HDAC8 1082/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 SMPD3 1812/4885HDAC4 3127/4885HDAC8 1582/4885

“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.