SCHEMBL2997267

SCHEMBL2997267

CC1(N)CCC2(CC1)OCCO2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12362108 0.90
SCHEMBL11819433 0.81 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL1809810 0.78 L3MBTL1 (0.32) SLC6A4SLC6A3ALDH1A1
SCHEMBL2236435 0.78
SCHEMBL12346153 0.77 KDM4E (0.31) SLC6A4SLC6A3ALDH1A1
SCHEMBL11819182 0.75 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL3106063 0.74 ALDH1A1 (0.43) ALDH1A1TDP1
SCHEMBL606806 0.72 LMNA (0.33)
SCHEMBL31721517 0.72 KMT2A (0.30)
Hydrochloric Acid SCHEMBL30536202 0.71 ALDH1A1 (0.41) ALDH1A1TDP1

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-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
CN-116261557-A Cyclic cyanoketene derivatives as KEAP1 modulators 默沙东有限责任公司 2023-06-13 CN disclosed
WO-2022013408-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME CORP. (US) 2022-01-20 WO disclosed
WO-2019201842-A1 METHOD FOR PREPARING ESTERS OF N-ACYLATED AMINO ACIDS WITH ACID-LABILE KETONE PROTECTIVE GROUP FUNCTIONS BAYER AKTIENGESELLSCHAFT (DE) 2019-10-24 WO disclosed
US-20110190493-A1 Spiroketal-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-04 US disclosed
US-7897543-B2 Spiroketal-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-03-01 US disclosed
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
WO-2010011782-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-01-28 WO disclosed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed
US-20080305955-A1 Spiroketal-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2008-12-11 US disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US disclosed
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 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 (5 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-20110190493-A1 Spiroketal-Substituted Cyclic Ketoenols AKR1D1, PDHX, KHK SLC6A4 4475/4885SLC6A3 4112/4885ALDH1A1 1940/4885
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 SLC6A4 3136/4885SLC6A3 4500/4885ALDH1A1 108/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 SLC6A4 4134/4885SLC6A3 4538/4885ALDH1A1 118/4885
US-20080305955-A1 Spiroketal-Substituted Cyclic Ketoenols AKR1D1, PDHX, KHK SLC6A4 4475/4885SLC6A3 4112/4885ALDH1A1 1940/4885
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 SLC6A4 4005/4885SLC6A3 3944/4885ALDH1A1 380/4885

“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.