SCHEMBL4990933

SCHEMBL4990933

CCC(CCC(CN)C(=O)O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
HTR2B P41595 3/20 0.49
HTR2C P28335 2/20 0.49
PPARA Q07869 3/20 0.48
EPHX1 P07099 7/20 0.46
ADRA2C P18825 2/20 0.44
SLC6A4 P31645 2/20 0.44
ADRA1A P35348 2/20 0.44
DRD3 P35462 2/20 0.44
MAPT P10636 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 1/20 0.44
OPRK1 P41145 1/20 0.44
PPARG P37231 3/20 0.44
EPHX2 P34913 2/20 0.42
USP2 O75604 2/20 0.42
CYP3A4 P08684 2/20 0.42
NR1I2 O75469 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 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
SCHEMBL4990020 0.90 TAAR1 (0.47) HTR2AHTR2BHTR2CPPARAEPHX1
SCHEMBL4989699 0.89 PPARA (0.51) HTR2AHTR2BHTR2CPPARAEPHX1
SCHEMBL4993135 0.86 HTR2A (0.55) HTR2AHTR2BHTR2CPPARAEPHX1
SCHEMBL4993849 0.85 PPARA (0.55) PPARAPPARGEPHX2
SCHEMBL1816528 0.84 HTR2A (0.56) HTR2AHTR2BHTR2CPPARAEPHX1
SCHEMBL4986177 0.83 TAAR1 (0.47) HTR2AHTR2BHTR2CPPARAEPHX1
SCHEMBL4989989 0.82 CYP1A2 (0.51) PPARGCYP1A2
SCHEMBL4993636 0.82 PNMT (0.46) PPARAPPARGTAAR1
SCHEMBL5095202 0.81 PPARA (0.64) HTR2AHTR2BHTR2CPPARAADRA2C
SCHEMBL4992250 0.81 TAAR1 (0.45) HTR2AHTR2BHTR2CPPARAEPHX1

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 HTR2A 188/4885HTR2B 317/4885HTR2C 259/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A HTR2A 258/4885HTR2B 343/4885HTR2C 320/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A HTR2A 149/4885HTR2B 276/4885HTR2C 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.