SCHEMBL1817040

SCHEMBL1817040

CCCC[C@@H](C)[C@@H](C)[C@H](CN)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.41
CACNA2D1 P54289 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38
PGR P06401 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
CA2 P00918 2/20 0.36
MAPK1 P28482 1/20 0.36
GABRR1 P24046 2/20 0.35
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL1816087 0.89 CACNA2D1 (0.40) GPR84CACNA2D1CACNB3CACNA1CPGR
SCHEMBL27598640 0.82 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1814418 0.82 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4010172 0.81 GPR84 (0.34) GPR84CA2MAPK1CA1ALDH1A1
SCHEMBL4011632 0.81 GPR84 (0.34) GPR84CA2MAPK1CA1ALDH1A1
SCHEMBL1913746 0.79 GPR84 (0.41) GPR84CACNA2D1CACNB3CACNA1CPGR
SCHEMBL6061174 0.79 GPR84 (0.43) GPR84CA2MAPK1CA1ALDH1A1
SCHEMBL4929757 0.79 GPR84 (0.43) GPR84CA2MAPK1CA1ALDH1A1
SCHEMBL4929759 0.79 GPR84 (0.43) GPR84CA2MAPK1CA1ALDH1A1
SCHEMBL6061959 0.79 GPR84 (0.43) GPR84CA2MAPK1CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-06-02 US claimed
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-06-02 US disclosed
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 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 (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-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, OPRD1 GPR84 429/4885CACNA2D1 1470/4885CACNB3 1544/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG GPR84 838/4885CACNA2D1 1091/4885CACNB3 1255/4885

“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.