SCHEMBL3409568

SCHEMBL3409568

NCC1Cn2c(=O)ccc3ccc(F)c(c32)O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.34
HTR1A P08908 2/20 0.33
DRD2 P14416 1/20 0.33
F10 P00742 1/20 0.32
BPTF Q12830 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
AQP1 P29972 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL3791536 1.00 KCNH2 (0.34) KCNH2HTR1ADRD2F10BPTF
SCHEMBL3404272 0.79 HTR1A (0.41) HTR1ADRD2F10
SCHEMBL17627903 0.74 KCNH2 (0.45) KCNH2HTR1ADRD2BPTFDPP4
SCHEMBL3778731 0.72 BPTF (0.43) KCNH2HTR1ADRD2BPTFDPP4
SCHEMBL1723306 0.70 KCNH2 (0.45) KCNH2HTR1ADRD2BPTF
SCHEMBL3408360 0.70 F10 (0.31) F10
SCHEMBL3784097 0.70 F10 (0.31) F10
SCHEMBL2288096 0.69 KCNH2 (0.39) KCNH2HTR1ADRD2
SCHEMBL2292976 0.69 KCNH2 (0.39) KCNH2HTR1ADRD2
SCHEMBL3781589 0.67 AADAT (0.36) KCNH2HTR1ADRD2BPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 KCNH2 1004/4885HTR1A 1449/4885DRD2 806/4885

“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.