SCHEMBL13014741

SCHEMBL13014741

COC(=O)NC(C(=O)N1CCCC1C(=O)NC(C)C)C1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 5/20 0.38
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 2/20 0.38
ELANE P08246 5/20 0.38
XIAP P98170 1/20 0.35
ACE P12821 3/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL8520532 0.91 KCNH2 (0.41) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL17527162 0.84 KCNH2 (0.60) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL15765648 0.83 KCNK3 (0.34) KCNH2CYP3A4CYP2C9
SCHEMBL13014810 0.81 KCNK3 (0.35) KCNH2CYP3A4CYP2C9
SCHEMBL10282485 0.81 L3MBTL1 (0.37)
SCHEMBL10299121 0.77 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL5987813 0.77 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL13014698 0.77 ELANE (0.51) KCNH2CYP3A4CYP2C9ELANE
SCHEMBL10299169 0.77 ELANE (0.51) KCNH2CYP3A4CYP2C9ELANE
SCHEMBL20706999 0.76 PKM (0.35) KCNH2CYP3A4CYP2C9XIAP

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-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KCNH2 4523/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KCNH2 4523/4885CYP3A4 1792/4885CYP2C9 3780/4885

“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.