SCHEMBL2514580

SCHEMBL2514580

O=C(N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
SLC6A5 Q9Y345 2/20 0.52
FAAH O00519 1/20 0.52
DRD4 P21917 2/20 0.52
HTR2A P28223 1/20 0.52
F2R P25116 2/20 0.51
ENPP2 Q13822 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
HSD11B1 P28845 1/20 0.49
DRD2 P14416 1/20 0.49
PPARG P37231 1/20 0.49
MCHR1 Q99705 1/20 0.49
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5251521 1.00 EPHX2 (0.52) EPHX2SLC6A5FAAHDRD4HTR2A
SCHEMBL6162930 0.88 HSD11B1 (0.58) DRD4CHRM2CHRM1HSD11B1DRD2
SCHEMBL23390110 0.83 F2R (0.55) EPHX2DRD4HTR2AF2RHSD11B1
SCHEMBL14425143 0.82 TPSAB1 (0.63) ENPP2CHRM2CHRM1NPC1RAB9A
SCHEMBL25200353 0.80 L3MBTL1 (0.53) ENPP2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13161203 0.79 HSD11B1 (0.72) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31041054 0.78 EPHX2 (0.64) EPHX2FAAHENPP2
SCHEMBL13521537 0.78 MEN1 (0.57) ENPP2HSD11B1PPARGNPC1RAB9A
SCHEMBL6174316 0.77 KDM5A (0.54) DRD4ENPP2HSD11B1DRD2PPARG
SCHEMBL1191110 0.77 HSD11B1 (0.64) ENPP2HSD11B1NPC1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO 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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 EPHX2 238/4885SLC6A5 2418/4885FAAH 18/4885

“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.