SCHEMBL9873300

SCHEMBL9873300

CS(=O)(=O)O[C@H]1C[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.49
TGM2 P21980 3/20 0.49
TGM1 P22735 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR2C P28335 1/20 0.44
PDE4B Q07343 2/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL17633253 1.00 F13A1 (0.49) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL24136459 1.00 F13A1 (0.49) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL20983428 1.00 F13A1 (0.49) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL17633251 1.00 F13A1 (0.49) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL17633250 1.00 F13A1 (0.49) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL18592896 0.91 SMN1; SMN2 (0.53) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL13567846 0.85 SMN1; SMN2 (0.52) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL3628114 0.84 SMN1; SMN2 (0.60) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL12836007 0.84 SMN1; SMN2 (0.60) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL31459972 0.84 F13A1 (0.48) F13A1TGM2TGM1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683207-B1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS INC (US) 2021-12-29 EP disclosed
US-20200369610-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2020-11-26 US disclosed
US-10781174-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B CADENT THERAPEUTICS, INC. (US) 2020-09-22 US disclosed
US-20190152912-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2019-05-23 US disclosed
US-10239835-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[c]pyrrole negative allosteric modulators of NR2B CADENT THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
US-20180111902-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B LUC THERAPEUTICS, INC. (US) 2018-04-26 US disclosed
US-20180111902-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B LUC THERAPEUTICS, INC. (US) 2018-04-26 US disclosed
WO-2016049165-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2016-03-31 WO disclosed
US-5017708-A Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1991-05-21 US disclosed
EP-0359172-A1 Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1990-03-21 EP 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 (5 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-10781174-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B GRIN2A, GRIN2C, GRIN3A F13A1 3397/4885TGM2 3318/4885TGM1 2922/4885
US-20200369610-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A F13A1 3397/4885TGM2 3318/4885TGM1 2922/4885
US-20180111902-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B OXER1, OPRL1, OXGR1 F13A1 3393/4885TGM2 4443/4885TGM1 4216/4885
US-10239835-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[c]pyrrole negative allosteric modulators of NR2B OXER1, OPRL1, OXGR1 F13A1 3393/4885TGM2 4443/4885TGM1 4216/4885
US-20190152912-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A F13A1 3397/4885TGM2 3318/4885TGM1 2922/4885

“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.