SCHEMBL4990020

SCHEMBL4990020

CCC(CCc1cccc(C(F)(F)F)c1)CCC(CN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
EPHX1 P07099 8/20 0.45
PPARA Q07869 2/20 0.43
S1PR1 P21453 1/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
S1PR5 Q9H228 1/20 0.42
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
PPARG P37231 1/20 0.40
NR3C2 P08235 1/20 0.40
DHODH Q02127 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
SLC1A5 Q15758 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL4986177 0.91 TAAR1 (0.47) TAAR1HTR2AHTR2CHTR2BEPHX1
SCHEMBL4990933 0.90 HTR2A (0.49) TAAR1HTR2AHTR2CHTR2BEPHX1
SCHEMBL4984410 0.86 TAAR1 (0.49) TAAR1HTR2AHTR2CHTR2BEPHX1
SCHEMBL4988048 0.86 PPARA (0.48) TAAR1PPARAPPARGMMP2MMP3
SCHEMBL4992250 0.84 TAAR1 (0.45) TAAR1HTR2AHTR2CHTR2BEPHX1
SCHEMBL4984177 0.83 GRIK1 (0.44) PPARG
SCHEMBL4990879 0.82 TAAR1 (0.43) TAAR1
SCHEMBL4993102 0.81 TAAR1 (0.49) TAAR1HTR2AHTR2CHTR2BEPHX1
SCHEMBL4989699 0.81 PPARA (0.51) TAAR1HTR2AHTR2CHTR2BEPHX1
SCHEMBL4993135 0.80 HTR2A (0.55) TAAR1HTR2AHTR2CHTR2BEPHX1

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 1437/4885HTR2A 188/4885HTR2C 259/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TAAR1 1172/4885HTR2A 258/4885HTR2C 320/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TAAR1 1489/4885HTR2A 149/4885HTR2C 218/4885

“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.