SCHEMBL14213449

SCHEMBL14213449

CC(C)N1CCCC1c1nnco1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.34
NOTUM Q6P988 1/20 0.30
CHRM2 P08172 3/20 0.30
CHRM4 P08173 3/20 0.30
CHRM5 P08912 3/20 0.30
CHRM1 P11229 3/20 0.30
CHRM3 P20309 3/20 0.30
EPHX2 P34913 1/20 0.30
KCNH2 Q12809 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
SCHEMBL14213452 1.00 PARP1 (0.34) PARP1NOTUMCHRM2CHRM4CHRM5
SCHEMBL14213450 1.00 PARP1 (0.34) PARP1NOTUMCHRM2CHRM4CHRM5
SCHEMBL12644564 0.79 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14213479 0.76 OGA (0.37) PARP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL14213466 0.76 OGA (0.37) PARP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL14213477 0.76 OGA (0.37) PARP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL14213476 0.75 PARP1 (0.34) PARP1
SCHEMBL14213461 0.75 PARP1 (0.34) PARP1
SCHEMBL14213474 0.75 PARP1 (0.34) PARP1
SCHEMBL14213444 0.75 SCD5 (0.36) PARP1CHRM2CHRM4CHRM5CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 US disclosed
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 PARP1 1305/4885NOTUM 3284/4885CHRM2 4871/4885

“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.