SCHEMBL482711

SCHEMBL482711

CC1(C)Oc2ccncc2C(n2cncc2-c2ccc(Cl)cc2)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 15/20 1.00
CACNA1B Q00975 1/20 0.34
CYP3A4 P08684 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL10265121 1.00 ABCC9 (1.00) ABCC9CACNA1BCYP3A4IDO1TDO2
SCHEMBL482560 0.83 ABCC9 (1.00) ABCC9CACNA1BKCNE1KCNQ1
SCHEMBL482208 0.82 ABCC9 (1.00) ABCC9
SCHEMBL13080483 0.82 ABCC9 (1.00) ABCC9
SCHEMBL13050092 0.82 ABCC9 (0.70) ABCC9KCNE1KCNQ1
SCHEMBL481907 0.82 ABCC9 (1.00) ABCC9
SCHEMBL10265262 0.82 ABCC9 (1.00) ABCC9
SCHEMBL482360 0.75 ABCC9 (0.67) ABCC9
SCHEMBL13050216 0.75 ABCC9 (0.67) ABCC9
SCHEMBL10266131 0.72 ABCC9 (0.59) ABCC9

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
EP-1937669-B9 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-07-18 EP disclosed
EP-1937669-B1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
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
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 217/4885CACNA1B 94/4885CYP3A4 370/4885
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 ABCC9 217/4885CACNA1B 94/4885CYP3A4 370/4885

“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.