SCHEMBL2278637

SCHEMBL2278637

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1CCN(C)C1c1cc(OC)ccc1-3

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.51
NR1I2 O75469 9/20 0.50
CYP3A4 P08684 3/20 0.49
SCN5A Q14524 2/20 0.49
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN9A Q15858 2/20 0.40

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
SCHEMBL2275022 1.00 KCNH2 (0.51) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3587774 0.93 KCNH2 (0.49) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL11948198 0.93 KCNH2 (0.49) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3598609 0.91 KCNH2 (0.42) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL3590833 0.90 KCNH2 (0.47) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3590927 0.89 NR1I2 (0.48) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3589924 0.85 KCNH2 (0.41) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3585907 0.85 KCNH2 (0.44) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3583679 0.84 KCNH2 (0.48) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL3593846 0.82 KCNH2 (0.45) KCNH2NR1I2CYP3A4SCN5ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ KCNH2 2797/4885NR1I2 381/4885CYP3A4 158/4885

“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.