SCHEMBL16600772

SCHEMBL16600772

O=C(CBr)c1ccc(O)c(F)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.42
GRIN1 Q05586 3/20 0.42
PTPN1 P18031 7/20 0.41
GSK3B P49841 9/20 0.35
KDM4A O75164 1/20 0.31

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
SCHEMBL22239204 0.76 HPGDS (0.45) GRIN2BGRIN1PTPN1GSK3B
SCHEMBL2227844 0.73 GSK3B (0.40) PTPN1GSK3B
SCHEMBL5324866 0.72 PTPN1 (0.42) PTPN1GSK3B
SCHEMBL28712036 0.71 KDM4E (0.52) PTPN1GSK3B
Hydrochloric Acid SCHEMBL5522853 0.70 PTPN1 (0.41) PTPN1GSK3B
SCHEMBL8926094 0.70 CYP1A2 (0.46)
Bromide SCHEMBL5434830 0.69 CYP1A2 (0.45)
SCHEMBL24136443 0.69 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL20090986 0.69 GRIN2B (0.64) GRIN2BGRIN1
SCHEMBL20090977 0.69 GRIN2B (0.64) GRIN2BGRIN1

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 45 patents — showing the first 20. 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
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
EP-3974420-B1 N-ALKYLARYL-5-OXYHETEROARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2023-08-16 EP disclosed
EP-3974420-B1 N-ALKYLARYL-5-OXYHETEROARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2023-08-16 EP disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US 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-9540324-B2 Selective octahydro-cyclopenta[C] pyrrole negative modulators of NR2B LUC THERAPEUTICS, INC. (US) 2017-01-10 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
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
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-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 US disclosed
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 US 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
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 (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-20220274925-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885GRIN1 5/4885PTPN1 237/4885
US-12145909-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885GRIN1 5/4885PTPN1 237/4885
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885GRIN1 6/4885PTPN1 1292/4885
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885GRIN1 6/4885PTPN1 1292/4885
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A GRIN2B 4/4885GRIN1 6/4885PTPN1 1292/4885

“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.