SCHEMBL1817242

SCHEMBL1817242

NC[C@H](Cc1cccc(Cl)c1)C(=O)O.NC[C@H](Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.53
CYP1A2 P05177 1/20 0.50
FOLH1 Q04609 5/20 0.48
TAAR1 Q96RJ0 1/20 0.47
CTBP2 P56545 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CPA1 P15085 2/20 0.45
CPA3 P15088 2/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45

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
SCHEMBL1817614 1.00 PNMT (0.53) PNMTCYP1A2FOLH1TAAR1CTBP2
Hydrochloric Acid SCHEMBL4639307 0.98 PNMT (0.51) PNMTCYP1A2FOLH1TAAR1CTBP2
Hydrochloric Acid SCHEMBL4619275 0.98 PNMT (0.51) PNMTCYP1A2FOLH1TAAR1CTBP2
SCHEMBL1812809 0.92 PNMT (0.53) PNMTCYP1A2FOLH1TAAR1CTBP2
SCHEMBL4991032 0.86 PNMT (0.53) PNMTTAAR1CTBP2SLC1A3SLC1A2
SCHEMBL4987396 0.84 PNMT (0.51) PNMTFOLH1TAAR1CTBP2
SCHEMBL14885330 0.84 CYP1A2 (0.55) PNMTCYP1A2FOLH1CTBP2
SCHEMBL4989945 0.83 PNMT (0.47) PNMTTAAR1CTBP2SLC1A3SLC1A2
SCHEMBL8383351 0.83 SLC1A1 (0.69) PNMTSLC1A3SLC1A2SLC1A1
SCHEMBL8383319 0.83 SLC1A1 (0.69) PNMTSLC1A3SLC1A2SLC1A1

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-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 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 PNMT 2499/4885CYP1A2 395/4885FOLH1 82/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG PNMT 3457/4885CYP1A2 174/4885FOLH1 305/4885

“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.