Sugi Predict

Sugi Predict / Compounds / SCHEMBL3999901

SCHEMBL3999901

SCHEMBL3999901

CCCCC(C)C[C@](C)(N)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ SLC1A2 P43004 2/20 0.39
▸ SLC1A1 P43005 2/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ HSPD1 P10809 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ HSPE1 P61604 1/20 0.37
▸ PDF Q9HBH1 1/20 0.35
▸ GRIK1 P39086 1/20 0.34
▸ GRIK2 Q13002 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL3999893 1.00 CA2 (0.40) CA2MAPK1MAPTACE2CA1
SCHEMBL1817794 0.89 CHRM1 (0.35) MAPTSLC1A2SLC1A1SLC1A3S1PR4
SCHEMBL1815708 0.89 CHRM1 (0.35) MAPTSLC1A2SLC1A1SLC1A3S1PR4
SCHEMBL4000812 0.89 CHRM1 (0.35) MAPTSLC1A2SLC1A1SLC1A3S1PR4
SCHEMBL11078481 0.82 FFAR1 (0.44) CA2MAPK1MAPTACE2CA1
SCHEMBL1818224 0.82 HMGCR (0.38) S1PR4S1PR1S1PR3S1PR5
SCHEMBL1814281 0.82 HMGCR (0.38) S1PR4S1PR1S1PR3S1PR5
SCHEMBL3993645 0.82 HMGCR (0.38) S1PR4S1PR1S1PR3S1PR5
SCHEMBL4988024 0.82 HMGCR (0.38) S1PR4S1PR1S1PR3S1PR5
SCHEMBL1817097 0.82 HMGCR (0.38) S1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517909-B2 Amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-04-14 — — US disclosed
US-20090036487-A1 Combinations PFIZER INC. 2009-02-05 — — US disclosed
US-7419981-B2 Synergistic combinations of an alpha-2-delta ligand and a cGMP phosphodieterse 5 inhibitor PFIZER INC. (US) 2008-09-02 — — US disclosed
EP-1536782-B1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LTD (GB) 2007-04-18 — — EP disclosed
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE 2006-11-02 — — US disclosed
US-7112610-B2 Methods for using amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2006-09-26 — — US disclosed
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY S 2006-07-13 — — US disclosed
EP-1670452-A2 METHOD OF USE OF AMINOACIDS HAVING AFFINITY FOR THE A2D PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 — — EP disclosed
US-7064147-B2 Amino acids with affinity for the α-2-delta-protein WARNER-LAMBERT COMPANY (US) 2006-06-20 — — US disclosed
EP-1667722-A1 COMBINATIONS OF ALPHA-2-DELTA LIGANDS AND ACETYLCHOLINESTERASE INHIBITORS Pfizer Limited (GB) 2006-06-14 — — EP disclosed
EP-1536782-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN Pfizer Limited (GB) 2005-06-08 — — EP disclosed
WO-2005030184-A2 THERAPEUTIC BETA AMINOACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 — — WO disclosed
WO-2005027975-A1 COMBINATIONS OF ALPHA-2-DELTA LIGANDS AND ACETYLCHOLINESTERASE INHIBITORS PFIZER LIMITED (GB) 2005-03-31 — — WO disclosed
US-20050065176-A1 Combinations FIELD MARK JOHN (GB) 2005-03-24 — — US disclosed
EP-1492761-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN Warner-Lambert Company LLC (US) 2005-01-05 — — EP disclosed
US-20040157847-A1 Synergistic combinations FIELD MARK JOHN (GB) 2004-08-12 — — US disclosed
US-20040092522-A1 Synergistic combinations FIELD MARK JOHN (GB) 2004-05-13 — — US disclosed
WO-2004016259-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2004-02-26 — — WO disclosed
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 — — US disclosed
WO-2003082807-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 — — 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 (7 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-20090036487-A1 Combinations CHRNE, CHRND, CHRNG CA2 880/4885MAPK1 4661/4885MAPT 1429/4885
US-20040092522-A1 Synergistic combinations PDE2A, PDE1B, PDE1A CA2 314/4885MAPK1 3909/4885MAPT 2670/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A CA2 180/4885MAPK1 2709/4885MAPT 1240/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A CA2 228/4885MAPK1 2346/4885MAPT 646/4885
US-20050065176-A1 Combinations CHRNE, CHRND, CHRNG CA2 880/4885MAPK1 4661/4885MAPT 1429/4885
US-20040157847-A1 Synergistic combinations PDE2A, PDE1B, PDE1A CA2 314/4885MAPK1 3909/4885MAPT 2670/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CA2 182/4885MAPK1 3861/4885MAPT 1415/4885

“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.