SCHEMBL3787616

SCHEMBL3787616

NCC1Cc2c(F)cnc3ccc(=O)n(c23)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.37
KCNH2 Q12809 10/20 0.35
HTR1A P08908 1/20 0.34
SSTR2 P30874 1/20 0.32

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
SCHEMBL3778731 0.79 BPTF (0.43) BPTFKCNH2HTR1A
SCHEMBL3408971 0.77 KCNH2 (0.31) KCNH2
SCHEMBL1722875 0.77 KCNH2 (0.48) KCNH2HTR1A
SCHEMBL1712528 0.73 KCNH2 (0.48) KCNH2HTR1A
SCHEMBL14386582 0.73 KCNH2 (0.34) KCNH2
SCHEMBL1723489 0.72 KCNH2 (0.42) KCNH2HTR1A
SCHEMBL2290740 0.72 KCNH2 (0.42) KCNH2HTR1A
SCHEMBL1712002 0.72 KCNH2 (0.42) KCNH2HTR1A
SCHEMBL14308961 0.70 HTR1A (0.40) KCNH2HTR1A
SCHEMBL13319584 0.69 KCNH2 (0.44) KCNH2HTR1A

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 1607/4885KCNH2 1004/4885HTR1A 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.