SCHEMBL1768706

SCHEMBL1768706

CC(C)CNC(=O)CCC(N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 4/20 0.50
SLC1A2 P43004 3/20 0.50
SLC1A3 P43003 2/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GSR P00390 1/20 0.50
CYP1A2 P05177 1/20 0.50
GRIK1 P39086 1/20 0.50
GRM5 P41594 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIK2 Q13002 1/20 0.50
GRIK3 Q13003 1/20 0.50
GRIN2B Q13224 1/20 0.50

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
SCHEMBL1768701 1.00 SLC1A1 (0.50) SLC1A1SLC1A2SLC1A3GRM8GRM6
SCHEMBL23950747 0.87 SLC1A2 (0.48) SLC1A1SLC1A2SLC1A3GRM8GRM6
SCHEMBL23950310 0.87 SLC1A2 (0.48) SLC1A1SLC1A2SLC1A3GRM8GRM6
SCHEMBL29386612 0.86 SLC1A1 (0.56) SLC1A1SLC1A2SLC1A3GRM8GRM6
SCHEMBL14381159 0.85 CYP2D6 (0.42) SLC1A1SLC1A2CYP2D6CYP2C19HPGD
SCHEMBL24323633 0.85 CYP2D6 (0.42) SLC1A1SLC1A2CYP2D6CYP2C19HPGD
Theanine SCHEMBL23581676 0.81 NOD1 (0.54) SLC1A1SLC1A2SLC1A3GRM8GRM6
Theanine SCHEMBL290430 0.81 NOD1 (0.54) SLC1A1SLC1A2SLC1A3GRM8GRM6
Theanine SCHEMBL31465412 0.81 NOD1 (0.54) SLC1A1SLC1A2SLC1A3GRM8GRM6
Theanine SCHEMBL289255 0.81 NOD1 (0.54) SLC1A1SLC1A2SLC1A3GRM8GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN claimed
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO claimed
WO-2020120785-A1 ANTIFOLATE-CARRYING NANOPARTICLES AND THEIR USE IN MEDICINE MIDATECH LTD (GB) 2020-06-18 WO disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 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 (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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP SLC1A1 3349/4885SLC1A2 3742/4885SLC1A3 2595/4885
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 SLC1A1 3055/4885SLC1A2 2826/4885SLC1A3 2993/4885

“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.