SCHEMBL205342

SCHEMBL205342

CN1C[C@H]2CC[C@]1(C(=O)Cl)C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.33
HSD11B1 P28845 1/20 0.33
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SLC6A5 Q9Y345 1/20 0.31

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
SCHEMBL204658 1.00 SLC6A9 (0.33) SLC6A9HSD11B1SCN1ASCN2ASCN3A
SCHEMBL205052 0.77 HSD11B1 (0.34) SLC6A9HSD11B1
SCHEMBL205051 0.77 HSD11B1 (0.34) SLC6A9HSD11B1
SCHEMBL204903 0.76
SCHEMBL204902 0.76
SCHEMBL17483508 0.75 SLC6A9 (0.35) SLC6A9SLC6A5
SCHEMBL205018 0.73 HSD11B1 (0.35) HSD11B1
SCHEMBL205017 0.73 HSD11B1 (0.35) HSD11B1
SCHEMBL4179515 0.70 SLC6A9 (0.36) SLC6A9SLC6A5
SCHEMBL205464 0.70

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 SLC6A9 4833/4885HSD11B1 1871/4885SCN1A 2627/4885

“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.