SCHEMBL5749685

SCHEMBL5749685

COc1ccc2nccc(NC(=O)C3(CO)CCN(C(=O)OCc4ccccc4)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
OPRD1 P41143 2/20 0.40
OPRK1 P41145 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
GRIN2B Q13224 4/20 0.39
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
LCK P06239 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5748885 0.89 KCNH2 (0.44) KCNH2OPRD1OPRK1HDAC3HDAC1
SCHEMBL5747115 0.85 KCNH2 (0.41) KCNH2OPRD1OPRK1HDAC3HDAC1
SCHEMBL5656548 0.82 SMN1; SMN2 (0.56) KCNH2GRIN2BENPP2NPC1RAB9A
SCHEMBL5750585 0.79 KCNH2 (0.49) KCNH2
SCHEMBL5747753 0.77 OPRD1 (0.41) OPRD1OPRK1HDAC3HDAC1HDAC2
SCHEMBL5750818 0.77 GRM5 (0.41) OPRD1OPRK1HDAC3HDAC1HDAC2
SCHEMBL5747110 0.75 KCNH2 (0.44) KCNH2
SCHEMBL1222803 0.74 CYP8B1 (0.43) HDAC1GRIN2BNPC1RAB9ASMN1; SMN2
SCHEMBL5748598 0.73 KCNH2 (0.44) KCNH2
SCHEMBL5748379 0.73 KCNH2 (0.51) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 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 (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-20040198756-A1 Medicaments PIGO, PSAP, CD68 KCNH2 3821/4885OPRD1 220/4885OPRK1 601/4885

“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.