SCHEMBL3858637

SCHEMBL3858637

CC(NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 1.00
GRIA1 P42261 2/20 1.00
GRIA2 P42262 2/20 1.00
GRIA3 P42263 2/20 1.00
GRIA4 P48058 2/20 1.00
MEN1 O00255 1/20 1.00
CYP2C9 P11712 1/20 1.00
GRIK1 P39086 1/20 1.00
KMT2A Q03164 1/20 1.00
GRIK2 Q13002 1/20 1.00
GRIK3 Q13003 1/20 1.00
GRIK4 Q16099 1/20 1.00
GRIK5 Q16478 1/20 1.00
GRIN2D O15399 1/20 0.64
GRIN3B O60391 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
GRIN2C Q14957 1/20 0.64
GRIN3A Q8TCU5 1/20 0.64

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
SCHEMBL5974818 1.00 GRIN1 (1.00) GRIN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3858628 1.00 GRIN1 (1.00) GRIN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL30076660 1.00 GRIN1 (1.00) GRIN1GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL29651441 0.99 GRIN1 (0.98) GRIN1GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL2030014 0.99 GRIN1 (0.98) GRIN1GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL2030010 0.99 GRIN1 (0.98) GRIN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5974251 0.88 GRIN1 (0.78) GRIN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5974390 0.86 GRIN1 (0.75) GRIN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5973750 0.85 GRIN1 (0.74) GRIN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5973785 0.85 GRIN1 (1.00) GRIN1GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293282-A1 Substituted aminoalkanephosphonic acids NOVARTIS AG (CH) 2006-12-28 US claimed
EP-1501518-A2 SUBSTITUTED AMINOALKANEPHOSPHONIC ACIDS FOR THE TREATMENT OF NEUROPATHIC PAIN, AFFECTIVE AND ATTENTION DISORDERS, SCHIZOPHRENIA, TINNITUS, MYOPIA AND OTHER OCULAR DISORDERS Novartis AG (CH) 2005-02-02 EP claimed
WO-2004098603-A1 USE OF SUBSTITUTED AMINOALKANEPHOSPHONIC ACIDS IN THE TREATMENT OF MULTIPLE SCLEROSIS NOVARTIS AG (CH) 2004-11-18 WO claimed
EP-0853617-B1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 2004-03-03 EP claimed
WO-2003092701-A2 SUBSTITUTED AMINOALKANEPHOSPHONIC ACIDS FOR THE TREATMENT OF NEUROPATHIC PAIN, AFFECTIVE AND ATTENTION DISORDERS, SCHIZOPHRENIA, TINNITUS, MYOPIA AND OTHER OCULAR DISORDERS NOVARTIS AG (CH) 2003-11-13 WO claimed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US claimed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP claimed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO claimed
JP-2009137995-A SUBSTITUTED AMINOALKANEPHOSPHONIC ACID FOR TREATING NEUROPATHIC PAIN, AFFECTIVE AND ATTENTION DISORDER, SCHIZOPHRENIA, TINNITUS, MYOPIA AND OTHER OCULAR DISORDER NOVARTIS AG 2009-06-25 JP disclosed
US-20060293282-A1 Substituted aminoalkanephosphonic acids NOVARTIS AG (CH) 2006-12-28 US disclosed
CN-1649599-A Substituted aminoalkylphosphonic acids for the treatment of neuropathic pain, affective and attention disorders, schizophrenia, tinnitus, myopia and other ocular disorders NOVARTIS AG (CH) 2005-08-03 CN disclosed
EP-1501518-A2 SUBSTITUTED AMINOALKANEPHOSPHONIC ACIDS FOR THE TREATMENT OF NEUROPATHIC PAIN, AFFECTIVE AND ATTENTION DISORDERS, SCHIZOPHRENIA, TINNITUS, MYOPIA AND OTHER OCULAR DISORDERS Novartis AG (CH) 2005-02-02 EP disclosed
WO-2004098603-A1 USE OF SUBSTITUTED AMINOALKANEPHOSPHONIC ACIDS IN THE TREATMENT OF MULTIPLE SCLEROSIS NOVARTIS AG (CH) 2004-11-18 WO disclosed
EP-0853617-B1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 2004-03-03 EP disclosed
WO-2003092701-A2 SUBSTITUTED AMINOALKANEPHOSPHONIC ACIDS FOR THE TREATMENT OF NEUROPATHIC PAIN, AFFECTIVE AND ATTENTION DISORDERS, SCHIZOPHRENIA, TINNITUS, MYOPIA AND OTHER OCULAR DISORDERS NOVARTIS AG (CH) 2003-11-13 WO disclosed
US-6117873-A CAN BE USED FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS WHICH RESPOND TO BLOCKAGE OF EXCITATORY AMINO ACID RECEPTORS NOVARTIS AG (CH) 2000-09-12 US disclosed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 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 (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-20060293282-A1 Substituted aminoalkanephosphonic acids AANAT, LPAR6, AADAT GRIN1 610/4885GRIA1 683/4885GRIA2 724/4885

“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.