SCHEMBL1317427

SCHEMBL1317427

C[C@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
ADRA1A P35348 2/20 0.51
OPRK1 P41145 2/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
CYP1A2 P05177 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CPA3 P15088 1/20 0.43
FOLH1 Q04609 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
SCHEMBL2578174 0.85 MME (0.47) NPC1RAB9AMEN1KMT2A
SCHEMBL1205590 0.84 MAOA (0.39) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL836601 0.82 HPGD (0.45) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL531859 0.82 HPGD (0.45) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL532696 0.82 HPGD (0.45) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL531678 0.82 HPGD (0.45) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL836603 0.82 HPGD (0.45) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL640803 0.82 HPGD (0.45) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL28656503 0.81 CYP1A2 (0.47) HPGDCYP1A2MEN1KMT2AHTT
SCHEMBL23929198 0.81 PTGES (0.55) KMT2AMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 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 (1 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 ADRA2B 2689/4885ADRA2C 2540/4885ADRA1A 2291/4885

“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.