SCHEMBL4518570

SCHEMBL4518570

O=C(O)N1CC[C@H](N[C@H]2C[C@H]3CC[C@H]3C2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 7/20 0.33
CYP2C9 P11712 1/20 0.32
EPHX1 P07099 4/20 0.32
KDM1A O60341 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL4518574 1.00 EPHX2 (0.36) EPHX2THRBATML3MBTL1HSD11B1
SCHEMBL29134343 0.85 THRB (0.42) EPHX2THRBATML3MBTL1EPHX1
SCHEMBL29134344 0.85 THRB (0.42) EPHX2THRBATML3MBTL1EPHX1
SCHEMBL4122335 0.81 THRB (0.47) EPHX2THRBATML3MBTL1EPHX1
SCHEMBL671290 0.81 THRB (0.51) EPHX2THRBATML3MBTL1EPHX1
SCHEMBL4112587 0.81 THRB (0.51) EPHX2THRBATML3MBTL1EPHX1
SCHEMBL5202228 0.80 THRB (0.54) EPHX2THRBATML3MBTL1EPHX1
SCHEMBL4114698 0.80 THRB (0.54) EPHX2THRBATML3MBTL1EPHX1
SCHEMBL4511809 0.79 OPRK1 (0.41) EPHX2THRBATML3MBTL1HSD11B1
SCHEMBL4117506 0.77 MCHR1 (0.42) THRBATML3MBTL1KDM1A

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 1 patent. 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

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 EPHX2 828/4885THRB 449/4885ATM 4612/4885

“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.