SCHEMBL4990067

SCHEMBL4990067

CC(CCC(CN)C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.52
NPSR1 Q6W5P4 1/20 0.45
EPHX1 P07099 5/20 0.44
GPR139 Q6DWJ6 1/20 0.44
ACP3 P15309 2/20 0.43
CES2 O00748 1/20 0.43
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 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
SCHEMBL4984271 0.88 PNMT (0.54) PNMTNPSR1EPHX1GPR139ACP3
SCHEMBL4992355 0.85 PNMT (0.50) PNMTEPHX1GPR139ACP3CES2
SCHEMBL4984128 0.84 GRM8 (0.43) CES2MMP13AKR1C3AKR1C2
SCHEMBL4989966 0.81 PNMT (0.51) PNMTEPHX1GPR139ACP3CES2
SCHEMBL20821033 0.80 IDO1 (0.51) PNMTGPR139ACP3ATML3MBTL1
SCHEMBL4989765 0.80 TAAR1 (0.55)
SCHEMBL4983783 0.80 ALDH1A1 (0.44) GPR139ACP3ATMSLC1A3SLC1A2
SCHEMBL4993135 0.80 HTR2A (0.55) EPHX1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL11748241 0.80 FFAR4 (0.50) PNMTNPSR1EPHX1GPR139ACP3
SCHEMBL4984410 0.79 TAAR1 (0.49) EPHX1MEN1KMT2AKDM4E

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 PNMT 2239/4885NPSR1 580/4885EPHX1 4547/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PNMT 1531/4885NPSR1 605/4885EPHX1 4495/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PNMT 2122/4885NPSR1 561/4885EPHX1 4501/4885

“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.