SCHEMBL4512730

SCHEMBL4512730

COc1ccc2ncc(Cl)c(OC[C@@H]3CC[C@@H](N)CO3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
SRC P12931 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
RORC P51449 2/20 0.35
CCNT1 O60563 1/20 0.34
BCHE P06276 3/20 0.34
ACHE P22303 3/20 0.34
CHRM1 P11229 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL5503330 0.82 MTNR1B (0.43)
SCHEMBL4521719 0.82 HPGDS (0.40) KCNH2GRIN1
SCHEMBL5503532 0.81 IRAK4 (0.41) KCNH2
SCHEMBL4793670 0.79 LMNA (0.36) KCNH2RORCMALT1
SCHEMBL5509173 0.78 MTNR1B (0.41)
SCHEMBL5506070 0.74 MTNR1B (0.52)
SCHEMBL4509721 0.73 NPC1 (0.41) KCNH2SRCMALT1
SCHEMBL447794 0.71 MALT1 (0.41) KCNH2SRCMALT1
SCHEMBL5503277 0.69 MTNR1B (0.41) KCNH2
SCHEMBL5507816 0.68 KCNH2 (0.44) 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 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 1951/4885SRC 3966/4885ABCB1 1142/4885

“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.