SCHEMBL4994297

SCHEMBL4994297

CC(CCc1cccc(Cl)c1)C(N)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
MASP2 O00187 1/20 0.48
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
METAP2 P50579 1/20 0.45
TAAR1 Q96RJ0 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
AOC3 Q16853 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
FFAR1 O14842 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4981791 0.92 PNMT (0.47) PNMTMASP2KMT2AALDH1A1METAP2
SCHEMBL4989581 0.90 MASP2 (0.45) PNMTMASP2KMT2AALDH1A1IDO1
SCHEMBL4992864 0.86 PNMT (0.59) PNMTMASP2KMT2AALDH1A1HTR3E
SCHEMBL4981809 0.84 MASP2 (0.44) PNMTMASP2KMT2AALDH1A1IDO1
SCHEMBL4984701 0.84 TSHR (0.49) KMT2AMETAP2SMN1; SMN2MEN1HPGD
SCHEMBL14741391 0.83 CYSLTR2 (0.49) PNMTMASP2KMT2AALDH1A1IDO1
SCHEMBL27503089 0.83 MASP2 (0.52) PNMTMASP2KMT2AALDH1A1IDO1
SCHEMBL4984859 0.83 S1PR2 (0.47) KMT2AMEN1
SCHEMBL4983954 0.82 PNMT (0.46) PNMTTAAR1FFAR1
SCHEMBL4990686 0.82 MASP2 (0.43) PNMTMASP2KMT2AALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN claimed
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
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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 (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 PNMT 2239/4885MASP2 4051/4885KMT2A 1674/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PNMT 1531/4885MASP2 3904/4885KMT2A 1763/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PNMT 2122/4885MASP2 3961/4885KMT2A 1678/4885

“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.