SCHEMBL3779375

SCHEMBL3779375

NCC1Cc2ccnc3ccc(=O)n1c23

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 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
SCHEMBL3428409 0.86 GSK3B (0.33) HTR1A
SCHEMBL3408971 0.74 KCNH2 (0.31)
SCHEMBL3789119 0.74 HTR1A (0.43) HTR1A
SCHEMBL3790736 0.66 HTR1A (0.47) HTR1A
SCHEMBL1712671 0.66 KCNH2 (0.32) HTR1A
SCHEMBL1712374 0.66 KCNH2 (0.32) HTR1A
SCHEMBL3778688 0.64 BPTF (0.33)
SCHEMBL30657582 0.63 GSK3A (0.32)
SCHEMBL3430091 0.60 MTOR (0.32) HTR1A
SCHEMBL1712217 0.60 NPC1 (0.33)

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 1449/4885

“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.