Sugi Predict

Sugi Predict / Compounds / SCHEMBL4014989

SCHEMBL4014989

SCHEMBL4014989

CCC[C@@H](C)C[C@H](CNC(=O)[C@@H](N)C(C)C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 12/20 0.41
▸ DPP4 P27487 2/20 0.37
▸ DPP8 Q6V1X1 2/20 0.37
▸ DPP9 Q86TI2 2/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ CACNA2D1 P54289 2/20 0.35
▸ CACNB3 P54284 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ CACNA2D2 Q9NY47 1/20 0.35
▸ GRIK1 P39086 1/20 0.31
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ GRIK2 Q13002 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ SLC7A5 Q01650 1/20 0.31

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
SCHEMBL4008700 1.00 GPR88 (0.41) GPR88DPP4DPP8DPP9DPP7
SCHEMBL4011839 1.00 GPR88 (0.41) GPR88DPP4DPP8DPP9DPP7
SCHEMBL4008978 0.92 DPP7 (0.44) GPR88DPP4DPP8DPP9DPP7
SCHEMBL4008015 0.92 DPP7 (0.44) GPR88DPP4DPP8DPP9DPP7
SCHEMBL4009524 0.92 DPP7 (0.44) GPR88DPP4DPP8DPP9DPP7
SCHEMBL4008680 0.89 GPR88 (0.43) GPR88CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4014849 0.89 GPR88 (0.43) GPR88CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4009945 0.89 GPR88 (0.43) GPR88CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4009947 0.89 GPR88 (0.39) GPR88DPP8DPP7CACNA2D1CACNB3
SCHEMBL4014266 0.89 GPR88 (0.39) GPR88DPP8DPP7CACNA2D1CACNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491835-B2 Prodrugs of amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-02-17 — — US claimed
US-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein VIATRIS SPECIALTY LLC. 2005-03-31 — — US claimed
US-7491835-B2 Prodrugs of amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-02-17 — — US disclosed
EP-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 — — EP disclosed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO disclosed
US-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein VIATRIS SPECIALTY LLC. 2005-03-31 — — US 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-20050070483-A1 Prodrugs of amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GPR88 767/4885DPP4 1906/4885DPP8 2187/4885

“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.