SCHEMBL3785969

SCHEMBL3785969

NC[C@H]1Cn2c(=O)ccc3cccc(c32)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.41
F10 P00742 1/20 0.33
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 2/20 0.31
NISCH Q9Y2I1 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL3404272 1.00 HTR1A (0.41) HTR1ADRD2F10SLC6A2SLC6A4
SCHEMBL9700002 0.80 HPGD (0.34) SLC6A2SLC6A4SLC6A3KDM4EHPGD
SCHEMBL3791536 0.79 KCNH2 (0.34) HTR1ADRD2F10
SCHEMBL3409568 0.79 KCNH2 (0.34) HTR1ADRD2F10
SCHEMBL3428210 0.78 HTR1A (0.39) HTR1ADRD2NISCHKDM4EMAPT
SCHEMBL3408360 0.77 F10 (0.31) F10
SCHEMBL3784097 0.77 F10 (0.31) F10
SCHEMBL2291274 0.74 HTR1A (0.43) HTR1ADRD2SLC6A2SLC6A4SLC6A3
SCHEMBL11398596 0.70 HTR1A (0.36) HTR1ADRD2KDM4EMAPT
SCHEMBL2292376 0.68 HTR1A (0.43) HTR1ADRD2

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 HTR1A 1449/4885DRD2 806/4885F10 1254/4885

“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.