SCHEMBL897482

SCHEMBL897482

CCCCCOc1cnccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP19A1 P11511 2/20 0.49
CYP3A4 P08684 4/20 0.44
KDM4E B2RXH2 1/20 0.41
NAAA Q02083 1/20 0.41
LMNA P02545 3/20 0.41
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL9236416 0.98 CYP2D6 (0.47) CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4
SCHEMBL674403 0.98 CYP2D6 (0.47) CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4
SCHEMBL4273388 0.94 CYP2D6 (0.54) CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4
SCHEMBL4278696 0.88 CYP2D6 (0.43) CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4
SCHEMBL30339345 0.88 CYP2D6 (0.43) CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4
Heptane SCHEMBL9236410 0.84 KDM4E (0.45) CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4
SCHEMBL31462005 0.81 NAAA (0.39) CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4
SCHEMBL29415405 0.80 NAAA (0.41) CYP2D6CYP2C9CYP2C19CYP19A1KDM4E
SCHEMBL18076195 0.79 NAAA (0.39) CYP2D6CYP2C9CYP2C19CYP19A1KDM4E
SCHEMBL1692005 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
US-9012096-B2 Long life lithium batteries with stabilized electrodes UCHICAGO ARGONNE, LLC (US) 2015-04-21 US claimed
US-7851092-B2 Redox shuttles for overcharge protection of lithium batteries U CHICAGO ARGONNE LLC (US) 2010-12-14 US claimed
WO-2006094069-A2 NOVEL REDOX SHUTTLES FOR OVERCHARGE PROTECTION OF LITHIUM BATTERIES UCHICAGO ARGONNE, LLC (US) 2006-09-08 WO claimed
US-20060199080-A1 Novel redox shuttles for overcharge protection of lithium batteries THE UNIVERSITY OF CHICAGO 2006-09-07 US claimed
US-20060147809-A1 Non-aqueous electrolyte of an alkali metal salt, a polar aprotic solvent, and an electrode stabilization additive comprising a linear, branched or cyclic hydrocarbon, other than a spirocyclic hydrocarbon, comprising at least one oxygen atom and at least one aryl, alkenyl or alkynyl group THE UNIVERSITY OF CHICAGO 2006-07-06 US claimed
US-12021226-B2 Cathode materials for secondary batteries UCHICAGO ARGONNE, LLC (US) 2024-06-25 US disclosed
EP-3656009-B1 MODIFIED IONIC LIQUIDS CONTAINING TRIAZINE NOHMS TECH INC (US) 2023-11-15 EP disclosed
EP-4158671-A2 MODIFIED IONIC LIQUIDS CONTAINING BICYCLOPHOSPHATE MOIETY Nohms Technologies, Inc. (US) 2023-04-05 EP disclosed
US-11575125-B2 Patterned anode for lithium-ion batteries UCHICAGO ARGONNE, LLC (US) 2023-02-07 US disclosed
EP-4106070-A1 PHOSPHORUS-CONTAINING ELECTROLYTES Nohms Technologies, Inc. (US) 2022-12-21 EP disclosed
US-11489201-B2 Modified ionic liquids containing phosphorus NOHMs Technologies, Inc. (US) 2022-11-01 US disclosed
EP-3436465-B1 MODIFIED IONIC LIQUIDS CONTAINING PHOSPHORUS NOHMS TECH INC (US) 2022-05-25 EP disclosed
EP-1539736-A1 SUBSTITUTED 1,4-PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-06-15 EP disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
US-20040116444-A1 Substituted 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-06-17 US disclosed
WO-2004024719-A1 SUBSTITUTED 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-25 WO disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 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 (3 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A CYP2D6 311/4885CYP2C9 992/4885CYP2C19 229/4885
US-11489201-B2 Modified ionic liquids containing phosphorus INPPL1, PLCB3, INPP5D CYP2D6 3872/4885CYP2C9 3774/4885CYP2C19 3927/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CYP2D6 311/4885CYP2C9 992/4885CYP2C19 229/4885

“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.