SCHEMBL4989581

SCHEMBL4989581

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.45
PNMT P11086 1/20 0.44
METAP2 P50579 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
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 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
SCHEMBL4994297 0.90 PNMT (0.49) MASP2PNMTMETAP2HTR3EHTR3B
SCHEMBL4985972 0.88 PNMT (0.54) MASP2PNMTALDH1A1KMT2A
SCHEMBL4990686 0.87 MASP2 (0.43) MASP2PNMTMETAP2HTR3EHTR3B
SCHEMBL4981791 0.85 PNMT (0.47) MASP2PNMTMETAP2HTR3EHTR3B
SCHEMBL14741391 0.84 CYSLTR2 (0.49) MASP2PNMTHTR3EHTR3BHTR3A
SCHEMBL4986765 0.84 PNMT (0.42) PNMTTAAR1
SCHEMBL1913964 0.83 CACNA2D1 (0.43) MASP2PNMTHTR3EHTR3BHTR3A
SCHEMBL3108210 0.83 CACNA2D1 (0.43) MASP2PNMTHTR3EHTR3BHTR3A
SCHEMBL30514326 0.83 CACNA2D1 (0.43) MASP2PNMTHTR3EHTR3BHTR3A
SCHEMBL27507027 0.82 MASP2 (0.47) MASP2PNMTMETAP2HTR3EHTR3B

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 8 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
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 2239/4885METAP2 1352/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MASP2 3904/4885PNMT 1531/4885METAP2 1042/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MASP2 3961/4885PNMT 2122/4885METAP2 1060/4885

“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.