SCHEMBL14213467

SCHEMBL14213467

CC(C)N1CCC[C@@H]1c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.40
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA2 Q15822 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
PSIP1 O75475 1/20 0.35
TRPA1 O75762 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
MAPT P10636 1/20 0.35
CHRNB1 P11230 1/20 0.35
CYP2A6 P11509 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL14213459 1.00 PARP1 (0.40) PARP1CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL8215178 1.00 PARP1 (0.40) PARP1CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL14213463 0.81 PARP1 (0.35) PARP1
SCHEMBL14213470 0.81 PARP1 (0.35) PARP1
SCHEMBL14213469 0.81 PARP1 (0.35) PARP1
SCHEMBL14213448 0.80 CXCR4 (0.42) PARP1ALDH1A1MAPT
SCHEMBL2603271 0.80 CXCR4 (0.42) PARP1ALDH1A1MAPT
SCHEMBL12643789 0.80 CXCR4 (0.42) PARP1ALDH1A1MAPT
SCHEMBL2603276 0.76 CXCR4 (0.43) PARP1ALDH1A1LMNAMAPT
SCHEMBL13330409 0.76 CHRNB2 (0.53) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNB4

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 1305/4885CHRNB2 4882/4885CHRNA4 4879/4885

“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.