SCHEMBL4112005

SCHEMBL4112005

CC(C)CN[C@H]1CCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
OPRK1 P41145 2/20 0.32
NPY2R P49146 1/20 0.31
EPHX1 P07099 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
CPA1 P15085 1/20 0.30
RIPK1 Q13546 1/20 0.30
DPP4 P27487 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL2220706 0.91 RAB9A (0.38) CYP2C19LMNARAB9ADPP4KDM4E
SCHEMBL3692484 0.78 EPHX2 (0.33) LMNARIPK1
SCHEMBL29107947 0.76 HCRTR2 (0.36) RIPK1
SCHEMBL6615474 0.75 EPHX2 (0.31) LMNA
SCHEMBL4916237 0.75 LMNA (0.34) CYP2C19LMNARAB9A
SCHEMBL2165891 0.75 HCRTR2 (0.36) DPP4
SCHEMBL4916247 0.75 LMNA (0.34) CYP2C19LMNARAB9A
SCHEMBL2247974 0.75 HSD17B10 (0.35) CYP2C19LMNARAB9ARIPK1DPP4
SCHEMBL5430851 0.75 SMYD3 (0.37) CYP2C19CYP2D6OPRK1NPY2REPHX1
SCHEMBL28673235 0.75 KMT2A (0.38) CYP2C19CYP2D6EPHX1LMNARAB9A

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-20090239928-A1 N-Pyrrolidin-3YL-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-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors AOC3, AOC2, TPH2 CYP2C19 777/4885CYP2D6 175/4885OPRK1 122/4885

“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.