SCHEMBL3241704

SCHEMBL3241704

COc1ccc2cccc(OCC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.55
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL5250858 1.00 KCNH2 (0.55) KCNH2PRMT5WDR77
SCHEMBL3248823 0.90 KCNH2 (0.44) KCNH2PRMT5WDR77
SCHEMBL3252141 0.87 KCNH2 (0.65) KCNH2
SCHEMBL3252137 0.87 KCNH2 (0.65) KCNH2
SCHEMBL3244505 0.82 KCNH2 (0.67) KCNH2
SCHEMBL3253760 0.77 KCNH2 (0.53) KCNH2
SCHEMBL3253764 0.77 KCNH2 (0.53) KCNH2
SCHEMBL3249434 0.74 KCNH2 (0.73) KCNH2
SCHEMBL3239693 0.74 KCNH2 (0.67) KCNH2
SCHEMBL5308649 0.74 KCNH2 (0.67) KCNH2

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
EP-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP disclosed
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 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-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 KCNH2 27/4885PRMT5 261/4885WDR77 594/4885

“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.