SCHEMBL205052

SCHEMBL205052

CCN1C[C@H]2CC[C@@]1(C(=O)Cl)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.34
EPHX1 P07099 2/20 0.33
EPHX2 P34913 1/20 0.33
SLC6A9 P48067 1/20 0.31
P2RX7 Q99572 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL205051 1.00 HSD11B1 (0.34) HSD11B1EPHX1EPHX2SLC6A9P2RX7
SCHEMBL205342 0.77 SLC6A9 (0.33) HSD11B1SLC6A9
SCHEMBL204658 0.77 SLC6A9 (0.33) HSD11B1SLC6A9
SCHEMBL204903 0.72
SCHEMBL204902 0.72
SCHEMBL205018 0.69 HSD11B1 (0.35) HSD11B1EPHX1EPHX2
SCHEMBL205017 0.69 HSD11B1 (0.35) HSD11B1EPHX1EPHX2
SCHEMBL205464 0.63
SCHEMBL4350074 0.61 ALDH1A1 (0.42) HSD11B1
SCHEMBL7839420 0.61

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 HSD11B1 1871/4885EPHX1 2119/4885EPHX2 3133/4885

“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.