SCHEMBL3929321

SCHEMBL3929321

CC(C)(C)O[C@H]1CCNC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRM1 P11229 2/20 0.32
SLC6A2 P23975 4/20 0.32
HTR1A P08908 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
KCNH2 Q12809 3/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
PRKCZ Q05513 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
SCHEMBL2146134 1.00 CHRNB2 (0.33) CHRNB2CHRNA4CHRM1SLC6A2HTR1A
SCHEMBL2146138 1.00 CHRNB2 (0.33) CHRNB2CHRNA4CHRM1SLC6A2HTR1A
Hydrochloric Acid SCHEMBL3197879 0.98 CHRNB2 (0.33) CHRNB2CHRNA4CHRM1SLC6A2HTR1A
Oxalic Acid SCHEMBL21590791 0.88 SLC6A1 (0.36)
SCHEMBL7419570 0.86 CHRNB2 (0.37) CHRNB2CHRNA4CHRM1SLC6A2HTR1A
SCHEMBL76964 0.85 HRH1 (0.35)
Hydrochloric Acid SCHEMBL77415 0.83 HRH1 (0.34)
SCHEMBL22488269 0.82 SLC6A2 (0.33) CHRNB2CHRNA4CHRM1SLC6A2HTR1A
SCHEMBL12436383 0.82 CHRNB2 (0.32) CHRNB2CHRNA4CHRM1SLC6A2HTR1A
SCHEMBL22488272 0.82 SLC6A2 (0.33) CHRNB2CHRNA4CHRM1SLC6A2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239750-A1 BICYCLIC-SUBSTITUTED GLUTARIMIDE CEREBLON BINDERS C4 THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-04-02 US disclosed
US-20150045367-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 PHARMACYCLICS LLC 2015-02-12 US disclosed
US-8841462-B2 Bicyclic heterocycles as MEK kinase inhibitors GENENTECH, INC. 2014-09-23 US disclosed
US-8486963-B2 Azaindolizines and methods of use GENENTECH, INC. (US) 2013-07-16 US disclosed
US-20120309765-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2012-12-06 US disclosed
US-8293763-B2 8-anilinoimidazopyridines and their use as anti-cancer and/or anti-inflammatory agents GENENTECH, INC. (US) 2012-10-23 US disclosed
US-8258152-B2 N-substituted azaindoles and methods of use GENENTECH, INC. (US) 2012-09-04 US disclosed
US-8258152-B2 N-substituted azaindoles and methods of use GENENTECH, INC. (US) 2012-09-04 US disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US disclosed
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. 2010-08-26 US disclosed
US-20100004269-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2010-01-07 US disclosed
US-20100004269-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2010-01-07 US disclosed
WO-2009011551-A2 PROCESS FOR THE EFFICIENT PREPARATION OF 3-HYDROXY PYRROLIDINE AND DERIVATIVES THEREOF RSTECH CORPORATION (KR) 2009-01-22 WO disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 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 (9 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-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS MAP2K7, MAP3K1, MAP3K5 CHRNB2 4817/4885CHRNA4 4866/4885CHRM1 4821/4885
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 CHRNB2 4799/4885CHRNA4 4817/4885CHRM1 4599/4885
US-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA PC, CPS1, GLS2 CHRNB2 4860/4885CHRNA4 4611/4885CHRM1 3652/4885
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI CHRNB2 4188/4885CHRNA4 3986/4885CHRM1 3301/4885
US-20120309765-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE MKI67, PCNA, TYMP CHRNB2 4193/4885CHRNA4 3659/4885CHRM1 4314/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 CHRNB2 4746/4885CHRNA4 4874/4885CHRM1 4599/4885
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE MKI67, CCNI, CDKN1A CHRNB2 4337/4885CHRNA4 4518/4885CHRM1 4047/4885
US-20100004269-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE MKI67, MAP3K5, MAPKAPK5 CHRNB2 4515/4885CHRNA4 4072/4885CHRM1 4023/4885
US-20150045367-A1 CINNAMIC ACID HYDROXYAMIDES AS INHIBITORS OF HISTONE DEACETYLASE 8 HDAC8, HDAC5, HDAC7 CHRNB2 4249/4885CHRNA4 4350/4885CHRM1 4870/4885

“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.