SCHEMBL3751257

SCHEMBL3751257

O=C(/C=C\C(=O)ON1CCCC1)ON1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL4058405 1.00 KEAP1 (0.33) KEAP1NFE2L2HCAR2ALDH1A1
SCHEMBL5874735 0.97 ALDH1A1 (0.35) KEAP1NFE2L2HCAR2ALDH1A1
SCHEMBL5875212 0.97 ALDH1A1 (0.35) KEAP1NFE2L2HCAR2ALDH1A1
SCHEMBL1934761 0.95 KEAP1 (0.33) KEAP1NFE2L2HCAR2
SCHEMBL10992799 0.91 HCAR2 (0.43) HCAR2ALDH1A1
SCHEMBL3632775 0.91 HCAR2 (0.43) HCAR2ALDH1A1
SCHEMBL10859674 0.89 HCAR2 (0.41) HCAR2
SCHEMBL10859682 0.89 HCAR2 (0.41) HCAR2
SCHEMBL17695729 0.87 NFE2L2 (0.52) KEAP1NFE2L2HCAR2ALDH1A1
SCHEMBL20240604 0.86 GSTP1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867219-B1 ASYMMETRICAL REVERSIBLE NEUROMUSCULAR BLOCKING AGENTS OF ULTRA-SHORT, SHORT, OR INTERMEDIATE DURATION UNIV CORNELL (US) 2017-02-15 EP disclosed
EP-2867219-A2 ASYMMETRICAL REVERSIBLE NEUROMUSCULAR BLOCKING AGENTS OF ULTRA-SHORT, SHORT, OR INTERMEDIATE DURATION Cornell University (US) 2015-05-06 EP disclosed
WO-2014210369-A2 REVERSAL OF CYSTEINE-INACTIVATED NEUROMUSCULAR BLOCKING DRUGS WITH COMBINATIONS OF REVERSAL AGENTS CORNELL UNIVERSITY (US) 2014-12-31 WO disclosed
WO-2014005122-A2 ASYMMETRICAL REVERSIBLE NEUROMUSCULAR BLOCKING AGENTS OF ULTRA-SHORT, SHORT, OR INTERMEDIATE DURATION SAVARESE JOHN J (US) 2014-01-03 WO disclosed
US-20100292288-A1 CRYSTALLINE FORMS OF (R)-1-{2-[4`- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-4537893-A TREATMENT OF PARKINSONS DISEASE, SEXUAL DYFUNCTION, ANXIETY, DEPRESSION OR HYPERTENSION ELI LILLY AND COMPANY (US) 1985-08-27 US 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 (1 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-20100292288-A1 CRYSTALLINE FORMS OF (R)-1-{2-[4`- (3-METHOXY-PROPANE-1- SULFONYL)-BIPHENYL-4-YL]-ETHYL}-2-METHYL-PYRROLIDINE, AND COMPOSITIONS, AND METHODS RELATED THERETO HRH3, HRH4, HTR1D KEAP1 753/4885NFE2L2 1851/4885HCAR2 193/4885

“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.