SCHEMBL6985750

SCHEMBL6985750

CCC(CC)(CCC#N)C(NC(=O)c1ccc(Cl)cc1)Nc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.60
KCNJ11 Q14654 13/20 0.60
ABCC8 Q09428 9/20 0.60
KCNJ8 Q15842 9/20 0.60
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NAMPT P43490 2/20 0.40
MAPKAPK2 P49137 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6988816 0.83 ABCC9 (0.54) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6981921 0.82 ABCC9 (0.64) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6985929 0.82 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6982052 0.82 ABCC9 (0.45) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4681701 0.80 ABCC9 (0.71) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL4681698 0.80 ABCC9 (0.71) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6991614 0.80 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6987647 0.78 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL6988934 0.78 CYP11B1 (0.50) ABCC9KCNJ11ABCC8KCNJ8CYP11B1
SCHEMBL5214708 0.78 ABCC9 (0.67) ABCC9KCNJ11ABCC8KCNJ8CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US claimed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US claimed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 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 (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-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 ABCC9 1043/4885KCNJ11 2/4885ABCC8 705/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 ABCC9 1043/4885KCNJ11 2/4885ABCC8 705/4885

“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.