SCHEMBL6645396

SCHEMBL6645396

Cn1oc(=O)c2c1NC1=C(C(=O)CC1)C2c1ccc(F)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 20/20 0.61
ABCC8 Q09428 20/20 0.61
KCNJ11 Q14654 20/20 0.61
KCNJ8 Q15842 20/20 0.61

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
SCHEMBL6641737 0.94 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6647286 0.89 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4258898 0.88 ABCC9 (0.68) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6852181 0.88 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6646706 0.87 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6641971 0.87 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6642946 0.86 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6647529 0.86 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6643814 0.85 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6644472 0.85 ABCC9 (0.65) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780872-B2 ASTHMA; ANTIEPILEPTIC AGENTS; SEXUAL DISORDERS ABBOTT LABORATORIES 2004-08-24 US claimed
EP-1259510-B1 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-06-02 EP claimed
US-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers DRIZIN IRENE (US) 2003-09-11 US claimed
EP-1259510-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-11-27 EP claimed
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers ABBOTT LABORATORIES 2002-01-17 US claimed
WO-2001066544-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-09-13 WO claimed
US-6780872-B2 ASTHMA; ANTIEPILEPTIC AGENTS; SEXUAL DISORDERS ABBOTT LABORATORIES 2004-08-24 US disclosed
EP-1259510-B1 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-06-02 EP disclosed
US-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers DRIZIN IRENE (US) 2003-09-11 US disclosed
US-6538004-B2 Potassium channel modulators relax smooth muscle cells and inhibit bladder contractions; treating nervous, eating, cardiovascular, gastrointestinal, and sexual disorders ABBOTT LABORATORIES 2003-03-25 US disclosed
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers ABBOTT LABORATORIES 2002-01-17 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 (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-20030171394-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers KCNJ2, KCNH1, KCNJ1 ABCC9 741/4885ABCC8 700/4885KCNJ11 4/4885
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers KCNJ2, KCNH1, KCNJ1 ABCC9 741/4885ABCC8 700/4885KCNJ11 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.