SCHEMBL3781589

SCHEMBL3781589

NC1Cc2c(F)ccc3ccc(=O)n(c23)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.36
HTR1A P08908 4/20 0.35
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
KCNH2 Q12809 1/20 0.31
BPTF Q12830 1/20 0.31
MAPK1 P28482 1/20 0.31
ANPEP P15144 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
SCHEMBL2818619 0.82 HTR1A (0.35) AADATHTR1ADRD2KCNH2
SCHEMBL3778731 0.81 BPTF (0.43) AADATHTR1ADRD2KCNH2BPTF
SCHEMBL3403994 0.78 CDK4 (0.37) AADATHTR1ADRD2KCNH2
SCHEMBL3777717 0.78 TSHR (0.43) HTR1ADRD2
SCHEMBL23249299 0.75 DRD2 (0.32) HTR1ADRD2DRD3
SCHEMBL2288096 0.75 KCNH2 (0.39) HTR1ADRD2KCNH2
SCHEMBL2292976 0.75 KCNH2 (0.39) HTR1ADRD2KCNH2
SCHEMBL4554113 0.72 NOTUM (0.32)
SCHEMBL31057621 0.72 NOTUM (0.32)
SCHEMBL13492064 0.69 KCNH2 (0.39) HTR1ADRD2KCNH2

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 AADAT 2968/4885HTR1A 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.