SCHEMBL2059484

SCHEMBL2059484

CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2)C[C@@]1(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
HSD11B2 P80365 2/20 0.40
STS P08842 1/20 0.38
USP30 Q70CQ3 1/20 0.38
EPHX2 P34913 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GRIN2B Q13224 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
GRM5 P41594 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL2439748 0.88 USP30 (0.47) USP30
SCHEMBL2434897 0.84 USP30 (0.38) USP30FPR2PROKR1TP53
SCHEMBL6502286 0.81 HDAC1 (0.39) USP30EPHX2GRIN2B
SCHEMBL29120051 0.79 USP30 (0.51) STSUSP30EPHX2SLC6A4SLC6A2
SCHEMBL31439886 0.78 ROCK2 (0.37) USP30EPHX2SLC6A4SLC6A2SLC6A3
SCHEMBL1260709 0.77 HSD11B1 (0.35) HSD11B1USP30
SCHEMBL1083425 0.77 GPR119 (0.34) USP30
SCHEMBL1072985 0.77 GPR119 (0.34) USP30
SCHEMBL1083306 0.77 MEN1 (0.41)
SCHEMBL1072152 0.77 MEN1 (0.41)

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
US-7968733-B2 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2011-06-28 US disclosed
US-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 US disclosed
EP-2058301-A1 PYRROLIDINE ANALOGUE FOR PREVENTING NEUROGENIC PAIN AND METHOD FOR PRODUCTION THEREOF Gifu University (JP) 2009-05-13 EP 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-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof HNMT, OPRK1, OPRL1 HSD11B1 3609/4885HSD11B2 4024/4885STS 4033/4885

“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.