SCHEMBL3621094

SCHEMBL3621094

COc1cnc2ccc(Cl)c(OCC(O)CN3CCC(N(C(=O)O)C(c4cc5c(cn4)OCCO5)C(C)(C)C)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.44
CYP2D6 P10635 3/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL3621089 0.82 KCNH2 (0.47) KCNH2
SCHEMBL3602618 0.81 CYP2D6 (0.41) KCNH2CYP2D6SLC2A1
SCHEMBL3149928 0.75 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL3840641 0.71 KCNH2 (0.51) KCNH2
SCHEMBL3328622 0.68 TSHR (0.34)
SCHEMBL4429997 0.68 KCNH2 (0.33) KCNH2SLC2A1
SCHEMBL3841871 0.67 TMEM97 (0.44) KCNH2CYP2D6
SCHEMBL3149833 0.65 KCNH2 (0.43) KCNH2SLC2A1
SCHEMBL2821729 0.65 KCNH2 (0.43) KCNH2SLC2A1
SCHEMBL2821724 0.65 KCNH2 (0.43) KCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS KCNH2 2914/4885CYP2D6 1687/4885SLC2A1 4080/4885

“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.