SCHEMBL4503053

SCHEMBL4503053

COc1ccc2nccc(NC(=O)C3CCC(N)C(=O)N3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.47
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SLC2A1 P11166 4/20 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
SCHEMBL4511568 0.85 KCNH2 (0.45) KCNH2CNR1CNR2SLC2A1
SCHEMBL4510826 0.82 KCNH2 (0.42) KCNH2CNR1CNR2
SCHEMBL633958 0.78 KCNH2 (0.54) KCNH2CNR1CNR2SLC2A1
SCHEMBL4269605 0.76 KCNH2 (0.45) KCNH2
SCHEMBL4521844 0.76 KCNH2 (0.66) KCNH2
SCHEMBL4499384 0.76 KCNH2 (0.66) KCNH2
SCHEMBL4499381 0.76 KCNH2 (0.66) KCNH2
SCHEMBL4499390 0.76 KCNH2 (0.66) KCNH2
SCHEMBL4514072 0.76 KCNH2 (0.66) KCNH2
SCHEMBL4512253 0.76 KCNH2 (0.49) KCNH2CNR1CNR2

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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity ASTRAZENECA AB (SE) 2009-05-21 US disclosed
EP-1891078-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006125974-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2006-11-30 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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity AAAS, AMPD2, AMPD3 KCNH2 1951/4885CNR1 2711/4885CNR2 3050/4885

“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.