SCHEMBL4986765

SCHEMBL4986765

CC(CCc1ccc(Cl)c(Cl)c1)CC(C)C(N)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.42
FFAR1 O14842 4/20 0.42
SIGMAR1 Q99720 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
LIPG Q9Y5X9 3/20 0.40
PAX8 Q06710 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL4983954 0.90 PNMT (0.46) PNMTFFAR1SIGMAR1TMEM97LIPG
SCHEMBL4994174 0.87 PNMT (0.51) PNMTFFAR1
SCHEMBL4995226 0.87 FFAR1 (0.42) PNMTFFAR1SIGMAR1TMEM97LIPG
SCHEMBL4981545 0.85 PNMT (0.44) PNMTFFAR1SIGMAR1TMEM97TAAR1
SCHEMBL4989581 0.84 MASP2 (0.45) PNMTTAAR1
SCHEMBL4990340 0.81 PNMT (0.57) PNMTFFAR1
SCHEMBL4986912 0.80 FFAR1 (0.46) PNMTFFAR1SIGMAR1TMEM97PAX8
SCHEMBL4983848 0.78 ALDH1A1 (0.43) FFAR1
SCHEMBL4988203 0.78 S1PR2 (0.40) FFAR1TMEM97TAAR1S1PR2S1PR1
SCHEMBL6078624 0.77 TMEM97 (0.47) PNMTSIGMAR1TMEM97LIPGPAX8

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 6 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
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 PNMT 2239/4885FFAR1 2235/4885SIGMAR1 229/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PNMT 1531/4885FFAR1 1923/4885SIGMAR1 275/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PNMT 2122/4885FFAR1 2117/4885SIGMAR1 235/4885

“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.