SCHEMBL4990658

SCHEMBL4990658

CCC(CC(C)Cc1cccc(C(F)(F)F)c1)C(N)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.53
HTR2B P41595 3/20 0.53
HTR2C P28335 2/20 0.53
ADRA2C P18825 2/20 0.45
SLC6A4 P31645 2/20 0.45
ADRA1A P35348 2/20 0.45
DRD3 P35462 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.45
CYP3A4 P08684 3/20 0.45
USP2 O75604 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
NR1I2 O75469 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL4986971 0.89 HTR2A (0.45) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL4988219 0.87 HTR2A (0.57) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL4983627 0.86 PPARG (0.42) DPP4PPARA
SCHEMBL4988058 0.83 PNMT (0.50) PPARA
SCHEMBL4991266 0.82 MEN1 (0.44) HTR2AHTR2BHTR2CCYP3A4CYP1A2
SCHEMBL4991235 0.77 HRH3 (0.41) KCNH2PPARA
SCHEMBL4983425 0.77 PNMT (0.48) SIGMAR1DPP4DPP7
SCHEMBL2033126 0.77 HTR2A (0.60) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL2033122 0.77 HTR2A (0.60) HTR2AHTR2BHTR2CADRA2CSLC6A4
SCHEMBL2034430 0.77 HTR2A (0.60) HTR2AHTR2BHTR2CADRA2CSLC6A4

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 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.