SCHEMBL9917290

SCHEMBL9917290

CC(C)(C)CC1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRB2 P47870 2/20 0.45
SLC6A12 P48065 2/20 0.45
SLC6A11 P48066 2/20 0.45
SLC6A13 Q9NSD5 2/20 0.45
GABRA1 P14867 1/20 0.45
GABRR1 P24046 1/20 0.45
GABRA4 P48169 1/20 0.45
KCNH2 Q12809 1/20 0.37
HRH4 Q9H3N8 5/20 0.36
HRH3 Q9Y5N1 5/20 0.36
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HRH2 P25021 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
SCHEMBL12933065 1.00 SLC6A1 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL13179816 1.00 SLC6A1 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL14071147 0.86 HRH3 (0.40) SLC6A1SLC6A11SLC6A13HRH4HRH3
SCHEMBL9917291 0.86 HRH3 (0.40) SLC6A1SLC6A11SLC6A13HRH4HRH3
SCHEMBL14646583 0.86 HRH3 (0.40) SLC6A1SLC6A11SLC6A13HRH4HRH3
SCHEMBL4762513 0.84 THRA (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL24915154 0.84 SLC6A1 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11915915 0.84 HRH3 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL12044420 0.82 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL18799769 0.82 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
CN-116348455-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN disclosed
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof Regeneran Pharmaceuticals, Inc. (US) 2023-06-06 US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 US disclosed
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders YALE UNIVERISTY (US) 2009-12-24 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA SLC6A1 3063/4885GABRA5 4011/4885GABRB2 4168/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 SLC6A1 4791/4885GABRA5 4525/4885GABRB2 4838/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH SLC6A1 2706/4885GABRA5 4061/4885GABRB2 4175/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH SLC6A1 3049/4885GABRA5 3301/4885GABRB2 3707/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 SLC6A1 2405/4885GABRA5 2055/4885GABRB2 1779/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH SLC6A1 3049/4885GABRA5 3301/4885GABRB2 3707/4885
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof ASGR1, CUTA, SRPRA SLC6A1 4111/4885GABRA5 1584/4885GABRB2 3263/4885
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders CHRNA1, CHRNA5, CHRNA10 SLC6A1 888/4885GABRA5 130/4885GABRB2 250/4885
US-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC SLC6A1 99/4885GABRA5 415/4885GABRB2 495/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS SLC6A1 4134/4885GABRA5 4200/4885GABRB2 4142/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH SLC6A1 2963/4885GABRA5 3862/4885GABRB2 3570/4885

“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.