SCHEMBL4993402

SCHEMBL4993402

CCC(CCc1cccc(O)c1)CC(CN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
DRD2 P14416 4/20 0.44
DRD1 P21728 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
OPRM1 P35372 6/20 0.40
OPRD1 P41143 6/20 0.40
OPRK1 P41145 6/20 0.40
ENPP2 Q13822 1/20 0.40
DRD3 P35462 3/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
GRIA2 P42262 1/20 0.39
IDO1 P14902 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL4989052 0.93 ANPEP (0.44) ANPEPERAP2ERAP1DRD2DRD1
SCHEMBL4993816 0.88 TAAR1 (0.44) ANPEPERAP2ERAP1TAAR1
SCHEMBL4992735 0.87 GRIA2 (0.46) ANPEPERAP2ERAP1DRD2DRD1
SCHEMBL4987793 0.87 PTGS2 (0.36) ANPEPERAP2ERAP1
SCHEMBL4990575 0.86 TAAR1 (0.43) TAAR1
SCHEMBL4986443 0.86 TAAR1 (0.43) TAAR1IDO1
SCHEMBL4994531 0.86 ANPEP (0.51) ANPEPERAP2ERAP1DRD2DRD1
SCHEMBL4990898 0.84 TAAR1 (0.48) TAAR1
SCHEMBL4987502 0.84 ANPEP (0.43) ANPEPERAP2ERAP1TAAR1OPRK1
SCHEMBL4984822 0.84 KDM4E (0.43) DRD2DRD1TAAR1DRD3DRD4

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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 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
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 (3 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 ANPEP 750/4885ERAP2 802/4885ERAP1 1331/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ANPEP 691/4885ERAP2 655/4885ERAP1 1085/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ANPEP 644/4885ERAP2 731/4885ERAP1 1300/4885

“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.