SCHEMBL485945

SCHEMBL485945

CC(C)(C)OC(=O)NCCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.55
CACNA1H O95180 1/20 0.54
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
NPC1 O15118 1/20 0.50
EPHX1 P07099 1/20 0.50
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46

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
SCHEMBL7220892 1.00 DRD2 (0.55) DRD2CACNA1HCA12CA1CA2
SCHEMBL4024516 0.98 DRD2 (0.56) DRD2CACNA1HCA12CA1CA2
SCHEMBL24172673 0.95 DRD2 (0.56) DRD2CACNA1HCA12CA1CA2
SCHEMBL31301250 0.95 DRD2 (0.56) DRD2CACNA1HCA12CA1CA2
SCHEMBL31301242 0.91 DRD2 (0.63) DRD2CACNA1HEPHX1MEN1KMT2A
SCHEMBL4119702 0.91 EPHX1 (0.49) DRD2CACNA1HCA12CA1CA2
SCHEMBL4743239 0.90 ACHE (0.58) DRD2ACHEBACE1MEN1KMT2A
SCHEMBL4118080 0.89 DRD2 (0.49) DRD2CACNA1HEPHX1ACHEBACE1
SCHEMBL31596990 0.89 DRD2 (0.58) DRD2ACHEBACE1MEN1KMT2A
SCHEMBL21142634 0.88 DRD2 (0.52) DRD2CACNA1HCA12CA1CA2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134350-A Donepezil-BHT heterozygote, preparation method and its for treating Alzheimer's disease 中国药科大学 2019-01-04 CN claimed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
WO-2023007009-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-02-02 WO disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
CN-108707139-B Aminopyrimidine compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2021-04-06 CN disclosed
US-10669305-B2 C-3 novel triterpenone with C-28 urea derivatives as HIV inhibitors HETERO LABS LIMITED (IN) 2020-06-02 US disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 US disclosed
CN-108707139-A Amino-metadiazine compound and its preparation method and application 北京浦润奥生物科技有限责任公司 2018-10-26 CN disclosed
WO-2017064628-A1 C-3 NOVEL TRITERPENONE WITH C-28 UREA DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-04-20 WO disclosed
US-9388137-B2 Quaternized amines as sodium channel blockers PURDUE PHARMA L.P. (US) 2016-07-12 US disclosed
US-9388137-B2 Quaternized amines as sodium channel blockers PURDUE PHARMA L.P. (US) 2016-07-12 US disclosed
US-20140309228-A1 QUATERNIZED AMINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-10-16 US disclosed
US-20140309228-A1 QUATERNIZED AMINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-10-16 US disclosed
US-8569313-B2 Meta-substituted phenyl sulfonyl amides of secondary amino acid amides, the production thereof, and use thereof as matriptase inhibitors THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-10-29 US disclosed
WO-2013064884-A1 QUATERNIZED AMINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-05-10 WO disclosed
EP-2132174-B1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS MEDICINES CO LEIPZIG GMBH (DE) 2012-02-01 EP disclosed
US-20100305090-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-12-02 US disclosed
EP-2132174-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS The Medicines Company (Leipzig) GmbH (DE) 2009-12-16 EP disclosed
WO-2008107176-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2008-09-12 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 (5 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-20100305090-A1 META-SUBSTITUTED PHENYL SULFONYL AMIDES OF SECONDARY AMINO ACID AMIDES, THE PRODUCTION THEREOF, AND USE THEREOF AS MATRIPTASE INHIBITORS MMP7, DNPEP, METAP1 DRD2 4698/4885CACNA1H 4338/4885CA12 1918/4885
US-20140309228-A1 QUATERNIZED AMINES AS SODIUM CHANNEL BLOCKERS CACNA1A, SCN1B, SCN1A DRD2 651/4885CACNA1H 105/4885CA12 2879/4885
US-10669305-B2 C-3 novel triterpenone with C-28 urea derivatives as HIV inhibitors CCR3, CCND3, UBE2D3 DRD2 2756/4885CACNA1H 4284/4885CA12 2101/4885
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR DRD2 3830/4885CACNA1H 4476/4885CA12 4587/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR DRD2 3830/4885CACNA1H 4476/4885CA12 4587/4885

“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.