SCHEMBL1428518

SCHEMBL1428518

O=C(CP(=O)(O)O)C1CCCNC1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
BLM P54132 1/20 0.61
SLC1A2 P43004 1/20 0.46
ARG1 P05089 2/20 0.43
FDPS P14324 1/20 0.38
ACE P12821 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL9130500 1.00 MEN1 (0.61) MEN1KMT2ABLMSLC1A2ARG1
SCHEMBL9132740 1.00 MEN1 (0.61) MEN1KMT2ABLMSLC1A2ARG1
SCHEMBL9131600 1.00 MEN1 (0.61) MEN1KMT2ABLMSLC1A2ARG1
SCHEMBL9130013 1.00 MEN1 (0.61) MEN1KMT2ABLMSLC1A2ARG1
SCHEMBL9130042 1.00 MEN1 (0.61) MEN1KMT2ABLMSLC1A2ARG1
SCHEMBL9132727 1.00 MEN1 (0.61) MEN1KMT2ABLMSLC1A2ARG1
SCHEMBL9131137 0.90 SLC1A2 (0.58) MEN1KMT2ABLMSLC1A2ARG1
SCHEMBL9131149 0.90 SLC1A2 (0.58) MEN1KMT2ABLMSLC1A2ARG1
SCHEMBL9131854 0.90 SLC1A2 (0.58) MEN1KMT2ABLMSLC1A2ARG1
SCHEMBL9276828 0.86 MEN1 (0.59) MEN1KMT2ABLMSLC1A2ARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100316678-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD. (AU) 2010-12-16 US claimed
EP-2175886-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBio Pty Ltd (AU) 2010-04-21 EP claimed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US claimed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 EP claimed
WO-2009000038-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD (AU) 2008-12-31 WO claimed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 WO claimed
EP-1902733-A1 Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-26 EP claimed
EP-0457324-B1 Heterocyclic-NMDA antagonists MERRELL DOW PHARMA (US) 1995-12-06 EP claimed
US-5194430-A HETEROCYCLIC-NMDA ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-16 US claimed
EP-0457324-A1 Heterocyclic-NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-21 EP claimed
US-9579299-B2 CNS pharmaceutical compositions and methods of use TARGIA PHARMACEUTICALS (IL) 2017-02-28 US disclosed
WO-2016027259-A1 CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE TARGIA PHARMACEUTICALS (IL) 2016-02-25 WO disclosed
US-20140256709-A1 CNS PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE TARGIA PHARMACEUTICALS (IL) 2014-09-11 US disclosed
US-20140194514-A1 TOPICAL FORMULATIONS TARAXOS INC. (US) 2014-07-10 US disclosed
US-8729070-B2 CNS pharmaceutical compositions and methods of use TARGIA PHARMACEUTICALS (IL) 2014-05-20 US disclosed
US-5194430-A HETEROCYCLIC-NMDA ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-16 US disclosed
CN-1061595-A Be used as new heterocyclics of excited amino acid receptor antagonists and its production and use AKTIEBOTAGEL ASTRA (SE) 1992-06-03 CN disclosed
WO-1992008724-A1 NEW HETEROCYCLIC COMPOUNDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AKTIEBOLAGET ASTRA (SE) 1992-05-29 WO disclosed
CN-1056499-A HETEROCYCLIC-NMDA ANTAGONISTS MERRELL DOW PHARMA (US) 1991-11-27 CN disclosed
EP-0457324-A1 Heterocyclic-NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-21 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 (1 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-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A MEN1 1091/4885KMT2A 1202/4885BLM 4614/4885

“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.