SCHEMBL7154694

SCHEMBL7154694

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 1.00
HSD17B10 Q99714 4/20 1.00
CASP1 P29466 3/20 1.00
ALDH1A1 P00352 9/20 0.67
ADORA3 P0DMS8 1/20 0.58
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 5/20 0.54
GAA P10253 4/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CASP7 P55210 1/20 0.54
ABCC1 P33527 1/20 0.53
LMNA P02545 1/20 0.52
CACNA1F O60840 1/20 0.52
CACNA1D Q01668 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52
MAPT P10636 2/20 0.52
CYP1A2 P05177 1/20 0.51

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
SCHEMBL7266705 0.95 KDM4E (0.90) KDM4EHSD17B10CASP1ALDH1A1ADORA3
SCHEMBL11868541 0.95 KDM4E (0.90) KDM4EHSD17B10CASP1ALDH1A1ADORA3
SCHEMBL7158896 0.95 KDM4E (0.90) KDM4EHSD17B10CASP1ALDH1A1ADORA3
SCHEMBL11875933 0.92 KDM4E (0.85) KDM4EHSD17B10CASP1ALDH1A1ADORA3
SCHEMBL11521159 0.91 KDM4E (0.83) KDM4EHSD17B10CASP1ALDH1A1ADORA3
SCHEMBL1664958 0.89 KDM4E (0.80) KDM4EHSD17B10CASP1ALDH1A1ADORA3
SCHEMBL11447113 0.88 KDM4E (0.79) KDM4EHSD17B10CASP1ALDH1A1ADORA3
SCHEMBL11732724 0.88 KDM4E (0.78) KDM4EHSD17B10CASP1ALDH1A1ADORA3
SCHEMBL11883936 0.88 KDM4E (0.78) KDM4EHSD17B10CASP1ALDH1A1ADORA3
SCHEMBL11670047 0.88 KDM4E (0.78) KDM4EHSD17B10CASP1ALDH1A1ADORA3

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
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction ANIONA APS (DK) 2002-08-29 US claimed
US-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-12-31 US disclosed
US-6545028-B2 Antiepileptic agents, hypotensive agents; monitoring membrane potentials NEUROSEARCH A/S (DK) 2003-04-08 US disclosed
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction ANIONA APS (DK) 2002-08-29 US disclosed
US-4771057-A TREATMENT OF ANGINA, ARRHYTHMIAS, CEREBRALVASCULAR DISEASE AND HYPERTENSION UNIVERSITY OF ALBERTA (CA) 1988-09-13 US disclosed
EP-0239186-A1 Antihypertensive reduced pyridyl derivatives The Governors of the University of Alberta (CA) 1987-09-30 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-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction KCNN2, KCNN1, KCNJ2 KDM4E 1074/4885HSD17B10 3626/4885CASP1 888/4885
US-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CACYBP, PPA1, IPMK KDM4E 4437/4885HSD17B10 966/4885CASP1 3727/4885

“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.