SCHEMBL4986599

SCHEMBL4986599

COc1ccc(OC)c(C(C)CC(CN)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.57
ADRA2A P08913 2/20 0.57
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2D6 P10635 2/20 0.49
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ACHE P22303 2/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4995112 0.90 ADRA1A (0.47) ADRA1AADRA2ACYP1A2LMNATSHR
SCHEMBL4986166 0.87 ADRA1A (0.55) ADRA1AADRA2ACYP1A2LMNATSHR
SCHEMBL4989658 0.85 ADRA1A (0.55) ADRA1AADRA2ACYP1A2LMNATSHR
SCHEMBL4990418 0.83 KMT2A (0.46) LMNAKMT2ACA1CA2ACHE
SCHEMBL4984602 0.83 AKR1C3 (0.45) MEN1MAPK1KMT2AHSD17B10RAB9A
SCHEMBL4983551 0.83 CYP1A2 (0.40) ADRA1AADRA2ACYP1A2LMNATSHR
SCHEMBL4983869 0.80 PPARA (0.42) KMT2A
SCHEMBL4994045 0.80 AOC3 (0.44) ADRA1AADRA2ACYP2C19HSD17B10
SCHEMBL11424531 0.80 ADRA1A (0.70) ADRA1AADRA2ACYP1A2LMNATSHR
SCHEMBL4992642 0.80 USP2 (0.39) ADRA1AADRA2AMAPK1

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 ADRA1A 86/4885ADRA2A 20/4885CYP1A2 1487/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ADRA1A 89/4885ADRA2A 20/4885CYP1A2 1628/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ADRA1A 85/4885ADRA2A 11/4885CYP1A2 1464/4885

“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.