SCHEMBL4987458

SCHEMBL4987458

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.45
MASP2 O00187 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
PNMT P11086 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AOC3 Q16853 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC2A1 P11166 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL4987396 0.88 PNMT (0.51) TAAR1MASP2PNMTKDM4EPOLB
SCHEMBL27507430 0.85 KMT2A (0.46) TAAR1MASP2HTR3EHTR3BHTR3A
SCHEMBL4990879 0.85 TAAR1 (0.43) TAAR1MASP2HTR3EHTR3BHTR3A
SCHEMBL4989295 0.85 GRIK1 (0.47) KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL4990196 0.82 HTR3E (0.45) TAAR1MASP2HTR3EHTR3BHTR3A
SCHEMBL17317764 0.82 TAAR1 (0.50) TAAR1AOC3
SCHEMBL4984410 0.81 TAAR1 (0.49) TAAR1KMT2AMEN1KDM4E
SCHEMBL4986443 0.80 TAAR1 (0.43) TAAR1MASP2HTR3EHTR3BHTR3A
SCHEMBL6056319 0.79 KDM4E (0.49) ALDH1A1KDM4E
SCHEMBL4991032 0.79 PNMT (0.53) TAAR1PNMT

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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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
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

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 TAAR1 1437/4885MASP2 4051/4885HTR3E 1246/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TAAR1 1172/4885MASP2 3904/4885HTR3E 1323/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TAAR1 1489/4885MASP2 3961/4885HTR3E 1059/4885

“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.