SCHEMBL4986971

SCHEMBL4986971

CCC(CC(C)CCc1cccc(C(F)(F)F)c1)C(N)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
EPHX1 P07099 6/20 0.43
MC4R P32245 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
S1PR1 P21453 1/20 0.40
GRK5 P34947 1/20 0.40
CDK8 P49336 1/20 0.40
S1PR5 Q9H228 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
USP2 O75604 2/20 0.39
PTGER1 P34995 1/20 0.39
PTGFR P43088 1/20 0.39
NR1I2 O75469 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 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
SCHEMBL4990658 0.89 HTR2A (0.53) HTR2AHTR2CHTR2BEPHX1CYP3A4
SCHEMBL4985311 0.88 HTR2A (0.48) HTR2AHTR2CHTR2BEPHX1MC4R
SCHEMBL4991235 0.87 HRH3 (0.41) S1PR1KCNH2
SCHEMBL4990686 0.84 MASP2 (0.43) TAAR1
SCHEMBL4991266 0.80 MEN1 (0.44) HTR2AHTR2CHTR2BEPHX1CYP3A4
SCHEMBL4995226 0.78 FFAR1 (0.42) S1PR1SIGMAR1
SCHEMBL4983627 0.78 PPARG (0.42)
SCHEMBL4993102 0.77 TAAR1 (0.49) HTR2AHTR2CHTR2BEPHX1MC4R
SCHEMBL4988219 0.77 HTR2A (0.57) HTR2AHTR2CHTR2BEPHX1CYP3A4
SCHEMBL27665215 0.76 HTR2A (0.49) HTR2AHTR2CHTR2BEPHX1MC4R

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 HTR2A 188/4885HTR2C 259/4885HTR2B 317/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A HTR2A 258/4885HTR2C 320/4885HTR2B 343/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A HTR2A 149/4885HTR2C 218/4885HTR2B 276/4885

“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.