SCHEMBL3245656

SCHEMBL3245656

O=CN(c1ccccc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADH1A P07327 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADH1C P00326 1/20 0.33
ADH4 P08319 1/20 0.33
ALOX15 P16050 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ESR1 P03372 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL14855593 0.94 TRPM8 (0.41) HTTTRPM8ALDH1A1MEN1KMT2A
SCHEMBL14855772 0.92 TRPM8 (0.44) TRPM8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14855822 0.90 TRPM8 (0.46) TRPM8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3245978 0.90 TRPM8 (0.46) TRPM8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4136645 0.87 SLC6A4 (0.43) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL28213143 0.84 LTA4H (0.40) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL15284332 0.84 HTR2A (0.49) ALDH1A1MEN1KMT2AKDM4ESLC6A2
SCHEMBL28304677 0.82 GAA (0.34) HTTTRPM8ALDH1A1NPSR1ALOX15
SCHEMBL24230522 0.79 DDB1 (0.36) HTTALDH1A1SMN1; SMN2ADH1AADH1C
SCHEMBL28288420 0.79 ADH1A (0.31) ADH1AADH1CADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368494-A Methods, compositions and uses of novel FYN kinase inhibitors 沃伦·C·刘 2018-08-03 CN claimed
CN-107848974-A Aromatic sulfonamide derivatives 拜耳制药股份公司 2018-03-27 CN claimed
CN-105431436-B Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors 内尔维阿诺医学科学有限公司 2017-11-28 CN claimed
CN-110167926-A POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS 米托布里奇公司 2019-08-23 CN disclosed
CN-110023312-A The Compounds and methods for for preventing malarial parasite from propagating 由卫生与公众服务部部长代表的美利坚合众国 2019-07-16 CN disclosed
CN-106103414-B Substituted benzamides for arthropod processing 拜耳作物科学股份公司 2019-07-16 CN disclosed
CN-109734677-A The small molecule compound and its application of inhibition of histone lysine methyltransferase NSD2 四川大学 2019-05-10 CN disclosed
CN-108617166-A Protein Kinase Inhibitor Benzolactam Compounds 大冢制药株式会社 2018-10-02 CN disclosed
CN-108383836-A Heterocyclyl compounds as mek inhibitor 鲁宾有限公司 2018-08-10 CN disclosed
CN-108264506-A Novel isoflavone derivative, preparation method and medical usage 中国药科大学 2018-07-10 CN disclosed
CN-107848974-A Aromatic sulfonamide derivatives 拜耳制药股份公司 2018-03-27 CN disclosed
CN-107033069-A A kind of novel cloth Shandong tyrosine kinase irreversible inhibitor 中国科学院合肥物质科学研究院 2017-08-11 CN disclosed
CN-106795119-A Halogenated compound 拜耳动物保健有限责任公司 2017-05-31 CN disclosed
CN-104059343-B A kind of polylactic acid composition and moulded products thereof, preparation method, and application thereof 中国科学院化学研究所 2016-08-31 CN disclosed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (2 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 HTT 3024/4885TRPM8 2933/4885ALDH1A1 874/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD HTT 4759/4885TRPM8 845/4885ALDH1A1 1612/4885

“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.