SCHEMBL2494508

SCHEMBL2494508

CCCOCN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 4/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 2/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HRH3 Q9Y5N1 3/20 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
SCHEMBL3314123 0.98 TSHR (0.38) TSHRLTA4HALDH1A1MAPTTHRB
Bicarbonate SCHEMBL5555311 0.89 HRH3 (0.38) TSHRALDH1A1MAPTTHRBLMNA
SCHEMBL2494566 0.86 TSHR (0.44) TSHRLTA4HALDH1A1MAPTTHRB
SCHEMBL3303147 0.84 TSHR (0.47) TSHRLTA4HALDH1A1MAPTTHRB
SCHEMBL3308645 0.84 LTA4H (0.47) TSHRLTA4HALDH1A1MAPTTHRB
SCHEMBL3307520 0.82 LTA4H (0.46) TSHRLTA4HALDH1A1MAPTTHRB
SCHEMBL5935796 0.82 LTA4H (0.50) TSHRLTA4HALDH1A1MAPTTHRB
SCHEMBL23868239 0.81 NPC1 (0.37) LTA4HALDH1A1THRBKDM4EHRH3
SCHEMBL6690746 0.81 LTA4H (0.49) TSHRLTA4HALDH1A1MAPTTHRB
SCHEMBL5935795 0.81 LTA4H (0.49) TSHRLTA4HALDH1A1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988455-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2021-04-27 US disclosed
US-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2019-02-14 US disclosed
US-10112923-B2 1,2,4-triazine-4-amine derivatives HEPTARES THERAPEUTICS LIMITED (GB) 2018-10-30 US disclosed
EP-2072496-B1 METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT OTSUKA CHEMICAL CO LTD (JP) 2017-11-15 EP disclosed
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES NXERA PHARMA UK LIMITED (GB) 2017-10-12 US disclosed
EP-2958181-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2017-06-14 EP disclosed
US-9653754-B2 Nonaqueous electrolytes and nonaqueous-electrolyte secondary batteries employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-16 US disclosed
US-9620814-B2 2017-04-11 US disclosed
US-9515348-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-12-06 US disclosed
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2016-06-23 US disclosed
US-20120308881-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQEUOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120264010-A1 NONAQUEOUS ELECTROLYTES AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERIES EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-8029690-B2 Process for production of highly pure quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-8029689-B2 Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20100099031-A1 NONAQUEOUS ELECTROLYTES AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERIES EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-22 US disclosed
EP-2166611-A1 NONAQUEOUS ELECTROLYTE, AND RECHARGEABLE BATTERY WITH THE NONAQUEOUS ELECTROLYTE Mitsubishi Chemical Corporation (JP) 2010-03-24 EP disclosed
US-20100044617-A1 Method for producing high-purity quaternary ammonium salt STELLA CHEMIFA CORPORATION (JP) 2010-02-25 US disclosed
US-20090272933-A1 Process for production of highly pure quaternary ammonium salt STELLA CHEMIFA CORPORATION (JP) 2009-11-05 US disclosed
EP-2098518-A1 PROCESS FOR PRODUCTION OF HIGHLY PURE QUATERNARY AMMONIUM SALT Otsuka Chemical Co., Ltd. (JP) 2009-09-09 EP disclosed
EP-2072496-A1 METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT Otsuka Chemical Co., Ltd. (JP) 2009-06-24 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 (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-20190047978-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 TSHR 339/4885LTA4H 153/4885ALDH1A1 784/4885
US-10988455-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 TSHR 339/4885LTA4H 153/4885ALDH1A1 784/4885
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 TSHR 327/4885LTA4H 139/4885ALDH1A1 794/4885
US-10112923-B2 1,2,4-triazine-4-amine derivatives ADORA2B, ADORA2A, ADORA1 TSHR 340/4885LTA4H 160/4885ALDH1A1 763/4885
US-20170291888-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES PTGER1, LTB4R2, LTB4R TSHR 407/4885LTA4H 126/4885ALDH1A1 1211/4885

“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.