SCHEMBL13712518

SCHEMBL13712518

CC(C)(C)OC(=O)N1CC[C@H](NC2CC3CCC2C3)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.52
CYP2C9 P11712 1/20 0.52
EPHX1 P07099 1/20 0.46
USP30 Q70CQ3 1/20 0.42
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL13712514 0.83 EPHX1 (0.51) HSD11B1CYP2C9EPHX1USP30ALDH1A1
SCHEMBL29042869 0.82 EPHX1 (0.56) HSD11B1CYP2C9EPHX1USP30ALDH1A1
SCHEMBL671312 0.82 EPHX1 (0.56) HSD11B1CYP2C9EPHX1USP30ALDH1A1
SCHEMBL15170353 0.82 EPHX1 (0.56) HSD11B1CYP2C9EPHX1USP30ALDH1A1
SCHEMBL4511809 0.80 OPRK1 (0.41) HSD11B1CYP2C9EPHX1OPRK1ALDH1A1
SCHEMBL13696786 0.80 EPHX1 (0.61) HSD11B1CYP2C9EPHX1USP30ALDH1A1
SCHEMBL10074964 0.80 EPHX1 (0.65) HSD11B1CYP2C9EPHX1USP30ALDH1A1
SCHEMBL672100 0.80 EPHX1 (0.65) HSD11B1CYP2C9EPHX1USP30ALDH1A1
SCHEMBL29042880 0.80 EPHX1 (0.61) HSD11B1CYP2C9EPHX1USP30ALDH1A1
SCHEMBL13696784 0.80 EPHX1 (0.65) HSD11B1CYP2C9EPHX1USP30ALDH1A1

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-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
US-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 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-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors TPH1, TPH2, HTR1A HSD11B1 204/4885CYP2C9 129/4885EPHX1 856/4885

“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.