SCHEMBL838670

SCHEMBL838670

CC1(C)C2CCC1(C)[C@H](N)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 6/20 0.38
SIGMAR1 Q99720 3/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
GAA P10253 1/20 0.37
CXCR3 P49682 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL29159126 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL12610926 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL12024467 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL6389608 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL1527311 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL14367329 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL18543456 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL1933742 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL542034 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL838671 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12104106-B2 Compositions of chiral molecules and perovskite nanocrystals and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2024-10-01 US claimed
US-20220326082-A1 CHIRAL HETEROSTRUCTURES Alliance for Energy Innovation, LLC 2022-10-13 US claimed
US-7388098-B2 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US claimed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-20020111512-A1 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
US-5440062-A One-(substituted)amino-7-(substituted)imino-1,3,5-cycloheptatriene-metal complexes as catalysts MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1995-08-08 US claimed
WO-1989010916-A1 ENANTIOSELECTIVE ADDITION OF HYDROCARBONS TO ALPHA,BETA-UNSATURATED CARBONYL COMPOUNDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-11-16 WO claimed
EP-4143185-B1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2025-10-29 EP disclosed
US-12398129-B2 Imidazolone derivatives as inhibitors of protein kinases in particular DYRK1A, CLK1 and/or CLK4 PERHA PHARMACEUTICALS (FR) 2025-08-26 US disclosed
EP-4568945-A1 HALOPHTHALIMIDE COMPOUNDS AND METHODS OF USE AGAINST TBI, INFLAMMATORY DISORDER, AUTOIMMUNE DISORDER, NEURODEGENERATIVE DISEASE OR VIRAL INFECTION The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2025-06-18 EP disclosed
US-12289941-B2 Chiral heterostructures ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2025-04-29 US disclosed
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US disclosed
EP-0699186-A1 INDOLE DERIVATIVES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS GLAXO S.p.A. (IT) 1996-03-06 EP disclosed
WO-1995029909-A1 NOVEL ACYCLIC AND CYCLIC AMIDES AS NEUROTRANSMITTER RELEASE ENHANCERS PFIZER INC. (US) 1995-11-09 WO disclosed
WO-1994020465-A1 INDOLE DERIVATIVES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS GLAXO S.P.A. (IT) 1994-09-15 WO disclosed
US-4855432-A HYDROGENATION CATALYST IN TRANSFER HYDROGENATION OF PROCHIRAL KETONES CIBA-GEIGY CORPORATION (US) 1989-08-08 US disclosed
US-4851534-A ENANTIOSELECTIVE HYDROGENATION CATALYST CIBA-GEIGY CORPORATION (US) 1989-07-25 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 (4 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-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 ALDH1A1 1825/4885EPHX2 638/4885SIGMAR1 4880/4885
US-20020111512-A1 Dynamic resolution of isomers and resolved isomers DHCR24, LPAR1, SLC7A1 ALDH1A1 1123/4885EPHX2 104/4885SIGMAR1 291/4885
US-12398129-B2 Imidazolone derivatives as inhibitors of protein kinases in particular DYRK1A, CLK1 and/or CLK4 CLK1, CLK2, CLK4 ALDH1A1 2571/4885EPHX2 4511/4885SIGMAR1 3254/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS ALDH1A1 568/4885EPHX2 7/4885SIGMAR1 2762/4885

“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.