SCHEMBL16601084

SCHEMBL16601084

O=C(CBr)c1ccc(O)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
GRIN2B Q13224 13/20 0.43
GRIN1 Q05586 7/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GSK3B P49841 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
SCHEMBL30998305 0.80 ALDH1A1 (0.62) PTPN1KDM4EALDH1A1GSK3B
SCHEMBL1438181 0.80 ALDH1A1 (0.62) PTPN1KDM4EALDH1A1GSK3B
SCHEMBL17666650 0.80 HSP90AB1 (0.44) GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL6171965 0.78 GSK3B (0.52) ALDH1A1GSK3B
SCHEMBL2071336 0.78 GSK3B (0.52) PTPN1KDM4EALDH1A1GSK3B
Bromide SCHEMBL4892809 0.78 ALDH1A1 (0.60) PTPN1KDM4EALDH1A1GSK3B
SCHEMBL1849723 0.78 PTPN1 (0.52) PTPN1GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL30518645 0.78 GSK3B (0.52) PTPN1KDM4EALDH1A1GSK3B
SCHEMBL29555996 0.78 GSK3B (0.52) ALDH1A1GSK3B
Bromide SCHEMBL3578187 0.77 PTPN1 (0.50) PTPN1GRIN2BGRIN1KDM4EALDH1A1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4649143-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES Novartis AG (CH) 2025-11-19 EP disclosed
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
WO-2024150146-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES NOVARTIS AG (CH) 2024-07-18 WO 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
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 PTPN1 237/4885GRIN2B 4/4885GRIN1 5/4885
US-12145909-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B GRIN2A, GRIN2C, GRIN3A PTPN1 237/4885GRIN2B 4/4885GRIN1 5/4885
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A PTPN1 1292/4885GRIN2B 4/4885GRIN1 6/4885
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A PTPN1 1292/4885GRIN2B 4/4885GRIN1 6/4885
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A PTPN1 1292/4885GRIN2B 4/4885GRIN1 6/4885

“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.