Ym-90K

Ym-90K

SCHEMBL678466

O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2[nH]c1=O.[Cl-].[H+]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Ym-90K. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.97
GRIA2 P42262 3/20 0.97
GRIA3 P42263 3/20 0.97
GRIA4 P48058 3/20 0.97
GRIK1 P39086 2/20 0.97
GRIK2 Q13002 2/20 0.97
GRIK3 Q13003 2/20 0.97
GRIK4 Q16099 2/20 0.97
GRIK5 Q16478 2/20 0.97
SLC22A6 Q4U2R8 1/20 0.61
SLC22A8 Q8TCC7 1/20 0.61

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
Ym-90K SCHEMBL29798088 0.99 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL2049549 0.99 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL29384442 0.97 GRIA1 (0.97) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL1055529 0.97 GRIA1 (0.97) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL5723327 0.84 GRIA1 (0.73) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL5723322 0.84 GRIA1 (0.73) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL14142767 0.82 GRIK1 (0.70) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL13227266 0.82 SLC22A6 (0.71) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8682439 0.80 GRIA1 (0.67) GRIA1GRIA2GRIA3GRIA4GRIK1
Water SCHEMBL8145177 0.80 GRIK1 (0.67) GRIA1GRIA2GRIA3GRIA4GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200030304-A1 MITIGATION OF CNS DISORDERS BY COMBINATION THERAPY USING NEUROSTEROIDS, AND AMPA BLOCKERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-01-30 US disclosed
WO-2018169798-A9 MITIGATION OF CNS DISORDERS BY COMBINATION THERAPY USING NEUROSTEROIDS, AND AMPA BLOCKERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-18 WO disclosed
WO-2018169798-A1 MITIGATION OF CNS DISORDERS BY COMBINATION THERAPY USING NEUROSTEROIDS, AND AMPA BLOCKERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-20 WO disclosed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
EP-2382975-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-11-02 EP disclosed
EP-2377530-A2 Modulation of neurogenesis by PDE inhibition Braincells, Inc. (US) 2011-10-19 EP disclosed
EP-2377531-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-10-19 EP disclosed
US-7998971-B2 2-(2-oxopyrrolidin- 1 -yl)-N-(2,3 -dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)acetoamide (MKC-231) and a second active ingredient for treating central or peripheral nervous system disorders increase neurogenesis; synergistic; drug addiction, psychological disorders, transplant rejection BRAINCELLS INC. (US) 2011-08-16 US disclosed
WO-2007053596-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-10 WO disclosed
WO-2007047978-A2 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-04-26 WO disclosed
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION BRAINCELLS, INC. (US) 2007-04-05 US disclosed
WO-2007030697-A2 MODULATION OF NEUROGENESIS BY HDAC INHIBITION BRAINCELLS, INC. (US) 2007-03-15 WO disclosed
WO-2007025177-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 WO disclosed
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 US disclosed
US-20030073683-A1 Administration of noncompetitive AMPA receptor antagonist for neuroprotection after traumatic brain injury BELAYEV LUDMILA (US) 2003-04-17 US disclosed
WO-2003024458-A1 NEUROPROTECTION AFTER TRAUMATIC BRAIN INJURY IVAX INSTITUTE FOR DRUG RESEARCH, INC. (US) 2003-03-27 WO disclosed
US-6136812-A Methods of administering AMPA receptor antagonists to treat dyskinesias associated with dopamine agonist therapy PFIZER INC (US) 2000-10-24 US disclosed
EP-0900568-A2 AMPA antagonists for the treatment of dyskinesias associated with dopamine agonist therapy Pfizer Products Inc. (US) 1999-03-10 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 (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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 GRIA1 159/4885GRIA2 162/4885GRIA3 84/4885
US-20200030304-A1 MITIGATION OF CNS DISORDERS BY COMBINATION THERAPY USING NEUROSTEROIDS, AND AMPA BLOCKERS GABRA4, GABRG1, GABRB2 GRIA1 68/4885GRIA2 58/4885GRIA3 44/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 GRIA1 288/4885GRIA2 210/4885GRIA3 128/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF GRIA1 492/4885GRIA2 482/4885GRIA3 185/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 GRIA1 159/4885GRIA2 162/4885GRIA3 84/4885

“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.