SCHEMBL3778731

SCHEMBL3778731

NCC1Cc2c(F)ccc3ccc(=O)n(c23)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.43
HTR1A P08908 2/20 0.36
DRD2 P14416 1/20 0.36
DPP4 P27487 5/20 0.34
KCNH2 Q12809 1/20 0.32
AADAT Q8N5Z0 1/20 0.31

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
SCHEMBL3403994 0.86 CDK4 (0.37) HTR1ADRD2KCNH2AADAT
SCHEMBL3781589 0.81 AADAT (0.36) BPTFHTR1ADRD2KCNH2AADAT
SCHEMBL3787616 0.79 BPTF (0.37) BPTFHTR1AKCNH2
SCHEMBL2818795 0.78 HTR1A (0.35) HTR1ADRD2KCNH2AADAT
SCHEMBL2818619 0.78 HTR1A (0.35) HTR1ADRD2KCNH2AADAT
SCHEMBL3777717 0.75 TSHR (0.43) HTR1ADRD2
SCHEMBL17627903 0.74 KCNH2 (0.45) BPTFHTR1ADRD2DPP4KCNH2
SCHEMBL3778885 0.74 BPTF (0.33) BPTFDPP4KCNH2AADAT
SCHEMBL3778688 0.74 BPTF (0.33) BPTFDPP4KCNH2AADAT
SCHEMBL3791778 0.74 BPTF (0.33) BPTFDPP4KCNH2AADAT

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
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

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 BPTF 1607/4885HTR1A 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.