SCHEMBL4981809

SCHEMBL4981809

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.44
PNMT P11086 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
FFAR1 O14842 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
METAP2 P50579 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
AOC3 Q16853 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4987054 0.93 SMN1; SMN2 (0.43) MASP2PNMTKMT2AALDH1A1FFAR1
SCHEMBL4990686 0.89 MASP2 (0.43) MASP2PNMTKMT2AALDH1A1FFAR1
SCHEMBL4992928 0.87 PNMT (0.53) PNMTKMT2AALDH1A1FFAR1SLC2A1
SCHEMBL4994297 0.84 PNMT (0.49) MASP2PNMTKMT2AALDH1A1FFAR1
SCHEMBL4990617 0.84 S1PR2 (0.48) KMT2AALDH1A1FFAR1MEN1
SCHEMBL4986912 0.83 FFAR1 (0.46) PNMTFFAR1TAAR1
SCHEMBL4988058 0.81 PNMT (0.50) MASP2PNMTFFAR1HTR3EHTR3B
SCHEMBL27503089 0.81 MASP2 (0.52) MASP2PNMTKMT2AALDH1A1IDO1
SCHEMBL4989581 0.80 MASP2 (0.45) MASP2PNMTKMT2AALDH1A1IDO1
SCHEMBL4987743 0.80 METAP2 (0.45) METAP2

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 MASP2 4051/4885PNMT 2239/4885KMT2A 1674/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MASP2 3904/4885PNMT 1531/4885KMT2A 1763/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MASP2 3961/4885PNMT 2122/4885KMT2A 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.