SCHEMBL4014985

SCHEMBL4014985

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nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.37
CACNA2D1 P54289 2/20 0.34
ADRA1A P35348 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
ECE1 P42892 2/20 0.32
GABRR1 P24046 2/20 0.31
CYP2C19 P33261 2/20 0.31
LMNA P02545 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CTSC P53634 1/20 0.31
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 1/20 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
SCHEMBL4010382 1.00 MMP2 (0.37) MMP2CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL4006922 0.85 MME (0.35) MMP2CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL4007669 0.85 MME (0.35) MMP2CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL4011567 0.83 GABRR1 (0.33) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL4008296 0.83 MMP2 (0.33) MMP2CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL4010218 0.83 MMP2 (0.33) MMP2CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL4015383 0.82 ALDH1A1 (0.33) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL4010172 0.81 GPR84 (0.34) MMP2
SCHEMBL4011632 0.81 GPR84 (0.34) MMP2
SCHEMBL4007914 0.79 ECE1 (0.35) CACNA2D1ADRA1ACACNB3CACNA1CPGR

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 8 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
EP-1670750-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA- PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 EP claimed
WO-2005030703-A1 PRODRUGS OF AMINO ACIDS WITH AFFINITY FOR THE α2δ- PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 MMP2 4383/4885CACNA2D1 40/4885ADRA1A 86/4885

“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.