SCHEMBL4949464

SCHEMBL4949464

CC(C)(C)OC(=O)N1CC(=NOCc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.46
S1PR5 Q9H228 5/20 0.39
S1PR1 P21453 4/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM1A O60341 1/20 0.37
PDGFRA P16234 1/20 0.36
ROCK1 Q13464 1/20 0.36
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLP1R P43220 3/20 0.35
OPRM1 P35372 1/20 0.34

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
SCHEMBL4949451 1.00 OPRK1 (0.46) OPRK1S1PR5S1PR1HTR2AKCNH2
SCHEMBL7215367 0.89 ATM (0.38) OPRK1KDM1AALDH1A1
SCHEMBL4943089 0.85 MMP1 (0.44)
SCHEMBL4943086 0.85 MMP1 (0.44)
SCHEMBL4941806 0.84 MMP1 (0.41) OPRK1KDM1AALDH1A1OPRM1
SCHEMBL4941809 0.84 MMP1 (0.41) OPRK1KDM1AALDH1A1OPRM1
SCHEMBL4936035 0.78 MMP1 (0.36) ALDH1A1
SCHEMBL4936029 0.78 MMP1 (0.36) ALDH1A1
SCHEMBL6975179 0.78 MMP1 (0.36) ALDH1A1
SCHEMBL20741003 0.76 KLK7 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 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 (3 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR OPRK1 32/4885S1PR5 430/4885S1PR1 923/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OPRK1 30/4885S1PR5 348/4885S1PR1 870/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OPRK1 1039/4885S1PR5 568/4885S1PR1 551/4885

“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.