SCHEMBL12094166

SCHEMBL12094166

BN(Cc1cc2c(cn1)OCCCO2)C1CCN(CCn2c(=O)cnc3ncc(OC)cc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.53
KCNQ1 P51787 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL10314229 0.97 KCNH2 (0.56) KCNH2KCNQ1CACNA1C
SCHEMBL4140459 0.88 KCNH2 (0.53) KCNH2KCNQ1CACNA1C
SCHEMBL10314041 0.87 KCNH2 (0.65) KCNH2
SCHEMBL12094171 0.86 KCNH2 (0.57) KCNH2
SCHEMBL10313930 0.85 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
SCHEMBL4136801 0.85 KCNH2 (0.56) KCNH2KCNQ1CACNA1C
SCHEMBL4141431 0.84 KCNH2 (0.74) KCNH2KCNQ1CACNA1C
SCHEMBL10313933 0.82 KCNH2 (0.51) KCNH2KCNQ1CACNA1C
SCHEMBL12002122 0.80 KCNH2 (0.62) KCNH2KCNQ1CACNA1C
SCHEMBL4137237 0.80 KCNH2 (0.79) KCNH2KCNQ1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 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 (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-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 KCNH2 260/4885KCNQ1 3580/4885CACNA1C 1747/4885

“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.