SCHEMBL7159073

SCHEMBL7159073

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 1.00
HIF1A Q16665 3/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
MAPT P10636 3/20 0.76
LMNA P02545 3/20 0.76
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
TSHR P16473 2/20 0.76
POLB P06746 1/20 0.76
MAPK1 P28482 1/20 0.76
GPR55 Q9Y2T6 1/20 0.76
CYP2D6 P10635 1/20 0.76
NFKB1 P19838 1/20 0.76
THPO P40225 1/20 0.76
CACNA1F O60840 7/20 0.67
CACNA1D Q01668 7/20 0.67
CACNA1S Q13698 7/20 0.67

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
SCHEMBL3027749 0.95 ADORA3 (0.90) ADORA3HIF1AMEN1KMT2AMAPT
SCHEMBL7160123 0.92 ADORA3 (0.85) ADORA3HIF1AMEN1KMT2AMAPT
SCHEMBL7164456 0.92 ADORA3 (0.85) ADORA3HIF1AMEN1KMT2AMAPT
SCHEMBL7237214 0.90 ADORA3 (0.82) ADORA3HIF1AMEN1KMT2AMAPT
SCHEMBL7236966 0.89 ADORA3 (0.80) ADORA3HIF1AMEN1KMT2AMAPT
SCHEMBL11434868 0.89 ADORA3 (0.79) ADORA3HIF1AMEN1KMT2AMAPT
SCHEMBL3058683 0.88 CACNA1F (0.80) ADORA3HIF1AMEN1KMT2AMAPT
SCHEMBL7160127 0.88 ADORA3 (0.78) ADORA3HIF1AMEN1KMT2AMAPT
SCHEMBL9064391 0.88 ADORA3 (0.78) ADORA3HIF1AMEN1KMT2AMAPT
SCHEMBL11434904 0.87 ADORA3 (0.76) ADORA3HIF1AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545028-B2 Antiepileptic agents, hypotensive agents; monitoring membrane potentials NEUROSEARCH A/S (DK) 2003-04-08 US claimed
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-3932645-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS FARBENFABRIKEN BAYER AG (DT) 1976-01-13 US claimed
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
WO-1996033972-A1 METHODS FOR SYNTHESIZING DIVERSE COLLECTIONS OF PYRIDINES, PYRIMIDINES, 1,4-DIHYDRO DERIVATIVES THEREOF, AND PIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1996-10-31 WO disclosed
US-3932645-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS FARBENFABRIKEN BAYER AG (DT) 1976-01-13 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-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction KCNN2, KCNN1, KCNJ2 ADORA3 1409/4885HIF1A 2396/4885MEN1 3703/4885

“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.