SCHEMBL6928832

SCHEMBL6928832

O=C1CCC2=C1C(c1ccc(Cl)c([N+](=O)[O-])c1)C1=C(CCC1=O)N2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.54
ABCC8 Q09428 16/20 0.54
KCNJ11 Q14654 16/20 0.54
KCNJ8 Q15842 16/20 0.54
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7820651 0.93 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL5074900 0.91 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7098231 0.90 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6431947 0.88 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8PKM
SCHEMBL6435494 0.87 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6910248 0.86 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8PKM
SCHEMBL5074918 0.84 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7093440 0.84 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6911692 0.84 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8PKM
SCHEMBL7853555 0.84 ABCC9 (0.60) 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 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.