SCHEMBL16601495

SCHEMBL16601495

O=C(O)CC1CN(C(=O)OCc2ccccc2)CC1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR2C P28335 1/20 0.49
GRIN2B Q13224 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
P2RX4 Q99571 2/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 2/20 0.45
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44

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
SCHEMBL16608113 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6212647 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL895729 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1190328 0.86 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL523693 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL995123 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL16040873 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL524109 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL523692 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8707514 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B NOVARTIS AG (CH) 2024-12-10 US disclosed
CN-118684652-A Octahydrocyclopenta [ c ] pyrrole allosteric inhibitors of SHP2 克鲁松制药公司 2024-09-24 CN disclosed
CN-111201223-B Octahydrocyclopenta [ c ] pyrrole allosteric inhibitors of SHP2 克鲁松制药公司 2024-07-09 CN disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC (US) 2021-09-14 US disclosed
EP-3681879-A1 OCTAHYDROCYCLOPENTA[C]PYRROLE ALLOSTERIC INHIBITORS OF SHP2 Krouzon Pharmaceuticals, Inc. (US) 2020-07-22 EP disclosed
CN-111201223-A Octahydrocyclopenta [ c ] pyrrole allosteric inhibitors of SHP2 克鲁松制药公司 2020-05-26 CN disclosed
US-10435389-B2 Octahydrocyclopenta[c]pyrrole allosteric inhibitors of SHP2 Krouzon Pharmaccuticals, Inc. (US) 2019-10-08 US disclosed
EP-3461827-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B Cadent Therapeutics, Inc. (US) 2019-04-03 EP disclosed
WO-2019051469-A1 OCTAHYDROCYCLOPENTA[C]PYRROLE ALLOSTERIC INHIBITORS OF SHP2 Krouzon Pharmaceuticals, Inc. (US) 2019-03-14 WO disclosed
US-20190077792-A1 Octahydrocyclopenta[c]pyrrole Allosteric Inhibitors of SHP2 Krouzon Pharmaceuticals, Inc. 2019-03-14 US disclosed
US-20180325868-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2018-11-15 US disclosed
EP-3036221-B1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS INC (US) 2018-11-07 EP disclosed
US-10052306-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC. (US) 2018-08-21 US disclosed
US-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B LUC THERAPEUTICS, INC. 2017-03-16 US disclosed
US-9540324-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B LUC THERAPEUTICS, INC. (US) 2017-01-10 US disclosed
EP-3036221-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B Luc Therapeutics, Inc. (US) 2016-06-29 EP disclosed
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 US disclosed
WO-2015048507-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 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 (9 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-10052306-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A SMN1; SMN2 1377/4885NPC1 710/4885RAB9A 3086/4885
US-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A SMN1; SMN2 1377/4885NPC1 710/4885RAB9A 3086/4885
US-20190077792-A1 Octahydrocyclopenta[c]pyrrole Allosteric Inhibitors of SHP2 PTPN1, PTPN2, PTPN7 SMN1; SMN2 3022/4885NPC1 3347/4885RAB9A 1614/4885
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A SMN1; SMN2 1377/4885NPC1 710/4885RAB9A 3086/4885
US-10435389-B2 Octahydrocyclopenta[c]pyrrole allosteric inhibitors of SHP2 PTPN1, PTPN2, PTPN7 SMN1; SMN2 3022/4885NPC1 3347/4885RAB9A 1614/4885
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A SMN1; SMN2 1377/4885NPC1 710/4885RAB9A 3086/4885
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A SMN1; SMN2 1377/4885NPC1 710/4885RAB9A 3086/4885
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A SMN1; SMN2 1377/4885NPC1 710/4885RAB9A 3086/4885
US-20180325868-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A SMN1; SMN2 1377/4885NPC1 710/4885RAB9A 3086/4885

“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.