SCHEMBL6925775

SCHEMBL6925775

O=C1CCC2=C1C(c1ccc3nonc3c1)C1=C(CCC1=O)N2

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 19/20 0.65
ABCC8 Q09428 19/20 0.65
KCNJ11 Q14654 19/20 0.65
KCNJ8 Q15842 19/20 0.65
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6646346 0.81 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6908840 0.80 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6910007 0.80 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6910071 0.80 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7099816 0.74 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6929871 0.74 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6432145 0.73 ABCC9 (0.76) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7238571 0.71 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6930319 0.70 ABCC9 (0.83) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6928353 0.70 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003517454-A 2003-05-27 JP 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.