SCHEMBL3240531

SCHEMBL3240531

O=CN(Cc1ccccc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
G6PC1 P35575 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
SRD5A1 P18405 1/20 0.38
ADH1C P00326 2/20 0.38
ADH1A P07327 2/20 0.38
ADH4 P08319 1/20 0.38
AGER Q15109 3/20 0.37
MTNR1A P48039 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC18A3 Q16572 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14855420 0.94 G6PC1 (0.46) SLC6A2SLC6A4SLC6A3G6PC1MEN1
SCHEMBL14855136 0.93 G6PC1 (0.49) SLC6A2SLC6A4SLC6A3G6PC1MEN1
SCHEMBL14855858 0.91 G6PC1 (0.51) SLC6A2SLC6A4SLC6A3G6PC1MEN1
SCHEMBL3238188 0.91 G6PC1 (0.51) SLC6A2SLC6A4SLC6A3G6PC1MEN1
SCHEMBL8620642 0.88 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3G6PC1
SCHEMBL19773700 0.82 G6PC1 (0.40) SLC6A2SLC6A4SLC6A3G6PC1MEN1
SCHEMBL3246527 0.81 G6PC1 (0.44) SLC6A2SLC6A4G6PC1MEN1KMT2A
SCHEMBL22813618 0.81 PKM (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL18508647 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL21985921 0.80 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3G6PC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390372-B1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-06-03 EP disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US 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
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 US disclosed
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 US disclosed
EP-2189449-A1 AMINOPYRAZOLE AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-05-26 EP disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
EP-1707206-A1 Piperazine derivates for the inhibition of beta-secretase, cathepsin D, plasmepsin ll and HIV protease and for the treatment of malaria, Alzeheimer and AIDS Speedel Experimenta AG (CH) 2006-10-04 EP disclosed
WO-2005037803-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-04-28 WO 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 (4 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 SLC6A2 1969/4885SLC6A4 2833/4885SLC6A3 2292/4885
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease OAT, XDH, MAPT SLC6A2 733/4885SLC6A4 497/4885SLC6A3 359/4885
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE ARGLU1, ARG1, CNKSR1 SLC6A2 4062/4885SLC6A4 3457/4885SLC6A3 2408/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD SLC6A2 2243/4885SLC6A4 1433/4885SLC6A3 1177/4885

“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.