SCHEMBL6928301

SCHEMBL6928301

O=C1CCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCC1=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.50
ABCC8 Q09428 9/20 0.50
KCNJ11 Q14654 9/20 0.50
KCNJ8 Q15842 9/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GPR174 Q9BXC1 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CACNA1C Q13936 2/20 0.44
CACNA1F O60840 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44

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
SCHEMBL7814727 0.92 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7097522 0.91 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6908037 0.87 KMT2A (0.43) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6908767 0.85 MEN1 (0.44) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7835693 0.84 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7817217 0.83 CA1 (0.60) KMT2AMEN1TDP1CA12CA1
SCHEMBL8741586 0.82 KMT2A (0.43) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6436430 0.81 MEN1 (0.48) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL6904653 0.81 MEN1 (0.48) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7095697 0.80 CACNA1C (0.62) ABCC9ABCC8KCNJ11KCNJ8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003517454-A 2003-05-27 JP claimed
US-6518279-B2 For treatment of asthma, epilepsy, hypertension, impotence, migraine, pain, urinary incontinence, stroke, Raynaud's syndrome, eating disorders, functional bowel disorders, and neurodegeneration; inotropic agents ABBOTT LABORATORIES 2003-02-11 US claimed
US-20020007065-A1 CYCLOPENTANONE DIHYDROPYRIDINE COMPOUNDS USEFUL AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES 2002-01-17 US claimed
EP-1075466-A1 CYCLOPENTANONE DIHYDROPYRIDINE COMPOUNDS USEFUL AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2001-02-14 EP claimed
WO-2000051986-A1 CYCLOPENTANONE DIHYDROPYRIDINE COMPOUNDS USEFUL AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-09-08 WO claimed
US-6518279-B2 For treatment of asthma, epilepsy, hypertension, impotence, migraine, pain, urinary incontinence, stroke, Raynaud's syndrome, eating disorders, functional bowel disorders, and neurodegeneration; inotropic agents ABBOTT LABORATORIES 2003-02-11 US disclosed
US-20020007065-A1 CYCLOPENTANONE DIHYDROPYRIDINE COMPOUNDS USEFUL AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES 2002-01-17 US disclosed
EP-1075466-A1 CYCLOPENTANONE DIHYDROPYRIDINE COMPOUNDS USEFUL AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2001-02-14 EP disclosed
WO-2000051986-A1 CYCLOPENTANONE DIHYDROPYRIDINE COMPOUNDS USEFUL AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-09-08 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 (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-20020007065-A1 CYCLOPENTANONE DIHYDROPYRIDINE COMPOUNDS USEFUL AS POTASSIUM CHANNEL OPENERS KCNN1, KCNJ2, KCNH1 ABCC9 416/4885ABCC8 743/4885KCNJ11 4/4885

“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.