SCHEMBL3639699

SCHEMBL3639699

Nc1ccc(OCC2CO2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 4/20 0.50
TP53 P04637 3/20 0.50
CYP3A4 P08684 2/20 0.50
HIF1A Q16665 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 3/20 0.49
PKM P14618 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 7/20 0.47
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL3639695 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL11261358 0.83 ALDH1A1 (0.52) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL5765504 0.83 SIGMAR1 (0.52) ALDH1A1TSHRCYP3A4SMN1; SMN2LMNA
SCHEMBL2205094 0.81 PKM (0.51) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL10268068 0.80 TLR4 (0.51) ALDH1A1CYP3A4LMNAMAPTTDP1
SCHEMBL9737497 0.79 ALDH1A1 (0.61) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL7611507 0.79 ALDH1A1 (0.61) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL6641309 0.79 ALDH1A1 (0.61) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL517975 0.79 ALDH1A1 (0.61) ALDH1A1TSHRTP53CYP3A4HIF1A
SCHEMBL11420051 0.79 MAPT (0.62) ALDH1A1TSHRCYP3A4SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
EP-2170334-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION Emory University (US) 2010-04-07 EP disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
US-6060492-A SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
US-5977154-A OBESITY, DIABETES ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5939443-A ANTIDIABETIC AGENTS AND TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 1999-08-17 US disclosed
US-5840738-A Selective β-3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed
US-5808080-A Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-09-15 US disclosed
US-5786356-A TREATING TYPE II DIABETES, OBESITY ELI LILLY AND COMPANY (US) 1998-07-28 US disclosed
WO-1997010825-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1997-03-27 WO disclosed
EP-0764640-A1 Selective beta3 adrenergic agonists ELI LILLY AND COMPANY (US) 1997-03-26 EP disclosed
US-5541204-A Aryloxypropanolamine β 3 adrenergic agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-07-30 US disclosed
EP-0714883-A1 Aryloxypropanolamine beta 3 adrenergic agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-05 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 (2 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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ALDH1A1 2664/4885TSHR 1062/4885TP53 4001/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ALDH1A1 2668/4885TSHR 1080/4885TP53 3922/4885

“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.