SCHEMBL4447209

SCHEMBL4447209

CCC[C@@H](C)[C@@H](C)/C(=C/C(=O)OCC)NOC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
METAP1 P53582 1/20 0.30
HPGD P15428 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
SCHEMBL4447211 1.00 NPSR1 (0.38) NPSR1HCAR2ALDH1A1MAPTMETAP1
SCHEMBL4447215 1.00 NPSR1 (0.38) NPSR1HCAR2ALDH1A1MAPTMETAP1
SCHEMBL6067588 0.82 NPSR1 (0.38) NPSR1HCAR2ALDH1A1MAPT
SCHEMBL6067591 0.82 NPSR1 (0.38) NPSR1HCAR2ALDH1A1MAPT
SCHEMBL4448957 0.82 NPSR1 (0.38) NPSR1HCAR2ALDH1A1MAPT
SCHEMBL4448959 0.82 NPSR1 (0.38) NPSR1HCAR2ALDH1A1MAPT
SCHEMBL4448960 0.82 NPSR1 (0.38) NPSR1HCAR2ALDH1A1MAPT
SCHEMBL6504169 0.78 NPSR1 (0.42) NPSR1HCAR2ALDH1A1MAPTMETAP1
SCHEMBL4446758 0.78 NPSR1 (0.42) NPSR1HCAR2ALDH1A1MAPTMETAP1
SCHEMBL6504174 0.78 NPSR1 (0.42) NPSR1HCAR2ALDH1A1MAPTMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070191350-A1 Combinations comprising alpha-2-delta ligands PIFIZER INC. (US) 2007-08-16 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
EP-1727535-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS Pfizer Limited (GB) 2006-12-06 EP disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
WO-2005102390-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-11-03 WO disclosed
WO-2005092318-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 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 (5 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 NPSR1 580/4885HCAR2 766/4885ALDH1A1 1484/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A NPSR1 605/4885HCAR2 617/4885ALDH1A1 1627/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A NPSR1 561/4885HCAR2 647/4885ALDH1A1 1424/4885
US-20070191350-A1 Combinations comprising alpha-2-delta ligands OPRD1, CHRND, OPRL1 NPSR1 59/4885HCAR2 497/4885ALDH1A1 2062/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 NPSR1 113/4885HCAR2 214/4885ALDH1A1 1861/4885

“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.