SCHEMBL4445038

SCHEMBL4445038

CC(C)OC[C@H](N)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 1/20 0.31
DDAH1 O94760 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30

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
SCHEMBL14036911 1.00 SLC7A5 (0.34) SLC7A5NOS3NOS1NOS2SLC1A3
Hydrochloric Acid SCHEMBL4447018 0.98 SLC7A5 (0.33) SLC7A5NOS3NOS1NOS2SLC1A3
SCHEMBL722370 0.81 SLC7A5 (0.50) SLC7A5NOS3NOS1NOS2SLC1A3
SCHEMBL10436302 0.81 SLC7A5 (0.50) SLC7A5NOS3NOS1NOS2SLC1A3
SCHEMBL15368912 0.81 TSHR (0.35) SLC7A5NOS3NOS1NOS2SLC1A3
SCHEMBL20932872 0.81 SLC7A5 (0.50) SLC7A5NOS3NOS1NOS2SLC1A3
Hydrochloric Acid SCHEMBL23111921 0.79 SLC7A5 (0.48) SLC7A5NOS3NOS1NOS2SLC1A3
SCHEMBL25867906 0.79 GABRP (0.33) SLC7A5NOS3NOS1NOS2SLC1A3
SCHEMBL26315380 0.78 TSHR (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5195709 0.77 SMN1; SMN2 (0.37) SLC7A5SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732008-B2 Preparation of functional homocysteine residues in polypeptides and peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-22 US disclosed
US-11732008-B2 Preparation of functional homocysteine residues in polypeptides and peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-22 US disclosed
US-20190119322-A1 PREPARATION OF FUNCTIONAL HOMOCYSTEINE RESIDUES IN POLYPEPTIDES AND PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-25 US disclosed
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-8288391-B2 Epithelial Sodium Channel and Acid Sensitive Ion Channel modulators; blocking or enhancing salt and sour tastes; additives in chocolate, ice cream, beverages, candies, or pet foods; side effect reduction PARION SCIENCES, INC. (US) 2012-10-16 US disclosed
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 US disclosed
US-8124607-B2 Poly aromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-02-28 US disclosed
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-08-27 US disclosed
US-20080293740-A1 METHOD OF TREATING ACID-SENSING ION CHANNEL MEDIATED PAIN, COUGH SUPPRESSION, AND CENTRAL NERVOUS SYSTEM DISORDERS PARION SCIENCES, INC. (US) 2008-11-27 US disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
US-20080249109-A1 PYRAZINOYLGUANIDINE COMPOUNDS FOR USE AS TASTE MODULATORS PARION SCIENCES, INC. (US) 2008-10-09 US disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 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 (8 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-20190119322-A1 PREPARATION OF FUNCTIONAL HOMOCYSTEINE RESIDUES IN POLYPEPTIDES AND PEPTIDES BHMT2, BHMT, PTMS SLC7A5 159/4885NOS3 647/4885NOS1 889/4885
US-20080249109-A1 PYRAZINOYLGUANIDINE COMPOUNDS FOR USE AS TASTE MODULATORS TAS2R5, TAS2R9, TAS2R19 SLC7A5 552/4885NOS3 2481/4885NOS1 2431/4885
US-20080293740-A1 METHOD OF TREATING ACID-SENSING ION CHANNEL MEDIATED PAIN, COUGH SUPPRESSION, AND CENTRAL NERVOUS SYSTEM DISORDERS ASIC1, ASIC3, TRPV1 SLC7A5 1683/4885NOS3 3700/4885NOS1 3842/4885
US-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 SLC7A5 2414/4885NOS3 508/4885NOS1 693/4885
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 SLC7A5 1838/4885NOS3 2574/4885NOS1 2493/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SLC7A5 1163/4885NOS3 2243/4885NOS1 2588/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SLC7A5 1163/4885NOS3 2243/4885NOS1 2588/4885
US-11732008-B2 Preparation of functional homocysteine residues in polypeptides and peptides BHMT2, BHMT, PTMS SLC7A5 159/4885NOS3 647/4885NOS1 889/4885

“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.