SCHEMBL9963369

SCHEMBL9963369

CC(C)NC1(c2ccccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRM4 Q14833 1/20 0.42
OPRM1 P35372 3/20 0.38
OPRL1 P41146 3/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
GPR142 Q7Z601 3/20 0.37
ADORA2A P29274 1/20 0.36
VNN1 O95497 1/20 0.34
MAPK1 P28482 3/20 0.34
KIF11 P52732 1/20 0.34
HSD11B1 P28845 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
SLC6A2 P23975 1/20 0.33

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
SCHEMBL12259535 0.95 GRIN1 (0.41) GRIN1GRIN2AGRIN2BGRM4OPRM1
SCHEMBL19865659 0.83 POLB (0.39) GRIN1GRIN2AGRIN2BGRM4OPRM1
SCHEMBL9965971 0.79 GRM4 (0.44) GRIN1GRIN2AGRIN2BGRM4OPRM1
SCHEMBL12259498 0.77 GOT1 (0.32) OPRM1OPRL1
SCHEMBL12259570 0.77 HSP90AA1 (0.31)
SCHEMBL12259430 0.77 LMNA (0.33) GPR142VNN1
SCHEMBL15998490 0.76 GRIN1 (0.44) GRIN1GRIN2AGRIN2BGRM4OPRM1
SCHEMBL12259735 0.76 ALDH1A1 (0.47) GRM4OPRM1OPRL1GPR142ADORA2A
SCHEMBL12259495 0.75 HIF1A (0.38) VNN1KIF11
SCHEMBL24451414 0.75 GRM4 (0.42) GRIN1GRIN2AGRIN2BGRM4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
WO-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 WO disclosed
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-11384090-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-07-12 US disclosed
US-11352363-B1 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
EP-4001279-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS Enanta Pharmaceuticals, Inc. (US) 2022-05-25 EP disclosed
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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 (11 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 GRIN1 1435/4885GRIN2A 1615/4885GRIN2B 2028/4885
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A GRIN1 2429/4885GRIN2A 3432/4885GRIN2B 3921/4885
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 GRIN1 1720/4885GRIN2A 3657/4885GRIN2B 3591/4885
US-11384090-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN GRIN1 2438/4885GRIN2A 3700/4885GRIN2B 3736/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 GRIN1 1865/4885GRIN2A 4007/4885GRIN2B 3883/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 GRIN1 1665/4885GRIN2A 1346/4885GRIN2B 1257/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 GRIN1 2708/4885GRIN2A 4436/4885GRIN2B 3932/4885
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ACE, ACE2, PKD1 GRIN1 992/4885GRIN2A 2828/4885GRIN2B 3035/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 GRIN1 4224/4885GRIN2A 4372/4885GRIN2B 4406/4885
US-11352363-B1 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN GRIN1 3126/4885GRIN2A 4100/4885GRIN2B 4341/4885
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ACE, SARS1, ACE2 GRIN1 2708/4885GRIN2A 4436/4885GRIN2B 3932/4885

“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.