SCHEMBL4992355

SCHEMBL4992355

CCC(CCC(CN)C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 4/20 0.42
ACP3 P15309 2/20 0.41
CES2 O00748 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
SLC6A9 P48067 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KCNQ2 O43526 1/20 0.39
AKR1C3 P42330 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
SCHEMBL4984304 0.89 PNMT (0.51) PNMTALDH1A1POLBMEN1CYP1A2
SCHEMBL6061435 0.86 ACP3 (0.42) PNMTALDH1A1POLBMEN1CYP1A2
SCHEMBL4990067 0.85 PNMT (0.52) PNMTALDH1A1POLBMEN1CYP1A2
SCHEMBL4983450 0.85 PPARA (0.45) AKR1C3AKR1C2
SCHEMBL4993935 0.81 GABBR2 (0.49) POLBCYP1A2SMN1; SMN2
SCHEMBL4988036 0.81 MEN1 (0.42) ALDH1A1MEN1KMT2AACP3TAS1R3
SCHEMBL4990933 0.79 HTR2A (0.49) MEN1CYP1A2CYP3A4CYP2C9KMT2A
SCHEMBL4984271 0.79 PNMT (0.54) PNMTALDH1A1POLBMEN1CYP1A2
SCHEMBL27643978 0.79 SLC1A3 (0.48) PNMTALDH1A1POLBMEN1CYP1A2
SCHEMBL27665487 0.78 MEN1 (0.46) PNMTALDH1A1POLBMEN1CYP1A2

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 2239/4885ALDH1A1 1484/4885POLB 2873/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PNMT 1531/4885ALDH1A1 1627/4885POLB 2711/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PNMT 2122/4885ALDH1A1 1424/4885POLB 2992/4885

“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.