SCHEMBL13080428

SCHEMBL13080428

CC1(C)Oc2ccc(C#N)cc2[C@@H](Sc2ncc[nH]2)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.64
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
ABCB1 P08183 6/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7332132 0.81 ABCC9 (0.56) ABCC9ABCB1KDM4E
SCHEMBL8088687 0.80 ABCC9 (0.57) ABCC9ABCB1KDM4E
SCHEMBL8090770 0.79 ABCC9 (0.54) ABCC9ABCB1KDM4E
SCHEMBL482228 0.78 ABCC9 (0.86) ABCC9ABCC8KCNJ11
SCHEMBL10266117 0.78 ABCC9 (0.86) ABCC9ABCC8KCNJ11
SCHEMBL8090764 0.77 ABCC9 (0.54) ABCC9ABCB1KDM4E
SCHEMBL9724911 0.76 ABCC9 (0.66) ABCC9ABCB1KDM4E
SCHEMBL9724915 0.76 ABCC9 (0.66) ABCC9ABCB1KDM4E
SCHEMBL9724917 0.76 ABCC9 (0.66) ABCC9ABCB1KDM4E
SCHEMBL7331857 0.75 ABCC9 (0.55) ABCC9ABCB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838553-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-11-23 US disclosed
US-7812183-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-10-12 US disclosed
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 US disclosed
WO-2007027959-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO disclosed
WO-2007027780-A2 BENZOPYRAN AND PYRANOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO disclosed
US-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-01 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-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 ABCC9 217/4885ABCC8 161/4885KCNJ11 20/4885
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 ABCC9 217/4885ABCC8 161/4885KCNJ11 20/4885

“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.