SCHEMBL4990705

SCHEMBL4990705

CC(CC(C)C(N)CC(=O)O)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PNMT P11086 1/20 0.40
PNP P00491 2/20 0.39
CTSA P10619 1/20 0.39
ACP3 P15309 1/20 0.39
OGT O15294 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA1D P25100 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL4989665 0.87 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AFFAR1
SCHEMBL20535150 0.84 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2AFFAR1
SCHEMBL30514317 0.82 CACNA2D1 (0.47) ALDH1A1HPGDMEN1KMT2AFFAR1
SCHEMBL1913816 0.82 CACNA2D1 (0.47) ALDH1A1HPGDMEN1KMT2AFFAR1
SCHEMBL27505824 0.82 ALDH1A1 (0.45) ALDH1A1HPGDMEN1KMT2ATRPM8
SCHEMBL4983848 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AFFAR1
SCHEMBL4993335 0.80 PNMT (0.46) ALDH1A1MEN1KMT2APNMTACP3
SCHEMBL4985972 0.80 PNMT (0.54) ALDH1A1KMT2AFFAR1PNMT
SCHEMBL4992864 0.79 PNMT (0.59) ALDH1A1KMT2AFFAR1PNMT
SCHEMBL4989581 0.78 MASP2 (0.45) ALDH1A1HPGDMEN1KMT2APNMT

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 ALDH1A1 1484/4885HPGD 2637/4885MEN1 4182/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885HPGD 2799/4885MEN1 4290/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885HPGD 2471/4885MEN1 4287/4885

“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.