SCHEMBL2114840

SCHEMBL2114840

Fc1ccc(OC2C[C@H]3CNC[C@H]3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 10/20 0.44
GRIN2B Q13224 10/20 0.44
SLC6A4 P31645 5/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 4/20 0.40
NAAA Q02083 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL2114839 1.00 GRIN1 (0.44) GRIN1GRIN2BSLC6A4SLC6A2SLC6A3
SCHEMBL17643108 1.00 GRIN1 (0.44) GRIN1GRIN2BSLC6A4SLC6A2SLC6A3
SCHEMBL17643355 1.00 GRIN1 (0.44) GRIN1GRIN2BSLC6A4SLC6A2SLC6A3
SCHEMBL1740596 0.84 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL797398 0.82 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3
SCHEMBL2114187 0.81 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL2114185 0.81 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL903939 0.81 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3EPHX2
SCHEMBL24136460 0.81 SLC6A4 (0.56) GRIN1GRIN2BSLC6A4SLC6A2SLC6A3
SCHEMBL14704876 0.81 SLC6A4 (0.56) GRIN1GRIN2BSLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145909-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B NOVARTIS AG (CH) 2024-11-19 US disclosed
EP-4282412-A2 N-ALKYLARYL-5-OXYHETEROARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2023-11-29 EP disclosed
US-20220274925-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2022-09-01 US disclosed
EP-3974420-A1 N-ALKYLARYL-5-OXYHETEROARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Cadent Therapeutics, Inc. (US) 2022-03-30 EP disclosed
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
EP-3683207-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Cadent Therapeutics, Inc. (US) 2020-07-22 EP disclosed
EP-3197868-B1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS INC (US) 2020-04-15 EP disclosed
CN-106795111-B N-alkylaryl-5-oxyaryl-octahydro-cyclopenta [ C ] pyrroles as negative allosteric modulators of NR2B 科登特治疗公司 2020-04-07 CN 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
EP-3197868-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Luc Therapeutics, Inc. (US) 2017-08-02 EP 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-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 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 (8 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-20220274925-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN1 5/4885GRIN2B 4/4885SLC6A4 1092/4885
US-12145909-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN1 5/4885GRIN2B 4/4885SLC6A4 1092/4885
US-10781174-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN1 5/4885GRIN2B 4/4885SLC6A4 1092/4885
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 GRIN1 612/4885GRIN2B 609/4885SLC6A4 3490/4885
US-20200369610-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN1 5/4885GRIN2B 4/4885SLC6A4 1092/4885
US-20180111902-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B OXER1, OPRL1, OXGR1 GRIN1 31/4885GRIN2B 25/4885SLC6A4 439/4885
US-10239835-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[c]pyrrole negative allosteric modulators of NR2B OXER1, OPRL1, OXGR1 GRIN1 31/4885GRIN2B 25/4885SLC6A4 439/4885
US-20190152912-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN1 5/4885GRIN2B 4/4885SLC6A4 1092/4885

“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.