SCHEMBL2840979

SCHEMBL2840979

CC(C)(N)C1(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
GRIN1 Q05586 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
PNMT P11086 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
DRD4 P21917 1/20 0.39
CYP2D6 P10635 1/20 0.38
BACE1 P56817 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
SCHEMBL1558552 0.83 GRIN2D (0.39) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL1558554 0.83 GRIN2D (0.39) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL1558556 0.83 GRIN2D (0.39) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL21526 0.81 OPRM1 (0.45) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL21524 0.81 OPRM1 (0.45) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL517456 0.71 OPRM1 (0.41) OPRM1OPRK1OPRL1PNMTMAOA
SCHEMBL16335846 0.71 SLC6A4 (0.44) GRIN2DGRIN3BGRIN1KCNH2GRIN2A
SCHEMBL25450725 0.68 ALDH1A1 (0.41) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL16115090 0.68 GRIN2D (0.39) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24119450 0.67 OPRM1 (0.52) OPRM1GRIN2DGRIN3BCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848364-B1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES AND INTERMEDIATES FOR THEIR PREPARATION SYNGENTA CROP PROTECTION AG (CH) 2024-10-23 EP disclosed
US-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2024-08-13 US disclosed
CN-111303116-B Microbiocidal heterobicyclic derivatives 先正达参股股份有限公司 2023-10-10 CN disclosed
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2022-10-13 US disclosed
EP-3683213-B1 INTERMEDIATE FOR THE PREPARATION OF MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2022-10-12 EP disclosed
US-11400097-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2022-08-02 US disclosed
CN-109890208-B Fungicidal compositions 先正达参股股份有限公司 2021-10-22 CN disclosed
EP-3848364-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES AND INTERMEDIATES FOR THEIR PREPARATION SYNGENTA PARTICIPATIONS AG (CH) 2021-07-14 EP disclosed
CN-107428722-B Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2021-04-20 CN disclosed
US-10966425-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2021-04-06 US disclosed
WO-2012135160-A1 (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 WO disclosed
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 US disclosed
EP-2266951-A1 Organic compounds Novartis AG (CH) 2010-12-29 EP disclosed
US-7851642-B2 δ-amino-γ-hydroxy-ω-aryl-alkanoic acid amide compound NOVARTIS AG (CH) 2010-12-14 US disclosed
US-20090253701-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253703-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-10-08 US disclosed
US-7582782-B2 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers NOVARTIS AG (CH) 2009-09-01 US disclosed
US-20070135498-A1 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers NOVARTIS AG (CH) 2007-06-14 US disclosed
EP-1689702-A1 ORGANIC COMPOUNDS NOVARTIS-PHARMA GMBH (AT) 2006-08-16 EP disclosed
WO-2005051895-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-06-09 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 (8 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-20090253701-A1 ORGANIC COMPOUNDS AGTR1, AGTR2, REN OPRM1 524/4885GRIN2D 1976/4885GRIN3B 1628/4885
US-12059422-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 OPRM1 3086/4885GRIN2D 3921/4885GRIN3B 4152/4885
US-10966425-B2 Fungicidal compositions CYP4X1, CYP4B1, CYP3A4 OPRM1 4195/4885GRIN2D 1978/4885GRIN3B 3249/4885
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 OPRM1 3086/4885GRIN2D 3921/4885GRIN3B 4152/4885
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 OPRM1 3086/4885GRIN2D 3921/4885GRIN3B 4152/4885
US-20090253703-A1 ORGANIC COMPOUNDS AGTR1, AGTR2, REN OPRM1 524/4885GRIN2D 1976/4885GRIN3B 1628/4885
US-20070135498-A1 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers AGTR1, REN, AGTR2 OPRM1 1120/4885GRIN2D 2516/4885GRIN3B 2244/4885
US-11400097-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 OPRM1 3086/4885GRIN2D 3921/4885GRIN3B 4152/4885

“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.