SCHEMBL3789119

SCHEMBL3789119

NCC1Cc2cccc3ccc(=O)n1c23

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.32
ANPEP P15144 1/20 0.31
HEXA P06865 1/20 0.30
HEXB P07686 1/20 0.30
CDK4 P11802 2/20 0.30
CCND1 P24385 2/20 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
SCHEMBL3784110 0.85 HTR1A (0.43) HTR1ADRD2HEXAHEXBCDK4
SCHEMBL3427271 0.75 HTR1A (0.46) HTR1ADRD2DRD3
SCHEMBL3778885 0.75 BPTF (0.33)
SCHEMBL3778688 0.75 BPTF (0.33)
SCHEMBL3429771 0.74 HTR1A (0.38) HTR1ADRD2
SCHEMBL3429769 0.64 HTR1A (0.36) HTR1ADRD2
SCHEMBL2291274 0.64 HTR1A (0.43) HTR1ADRD2HEXAHEXBCDK4
SCHEMBL3408971 0.62 KCNH2 (0.31)
SCHEMBL3404272 0.62 HTR1A (0.41) HTR1ADRD2
SCHEMBL7352146 0.62 HTR1A (0.70) HTR1ADRD2DRD3

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 806/4885DRD3 196/4885

“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.