SCHEMBL5747753

SCHEMBL5747753

COc1ccc2nccc(C#CC3(O)CCN(C(=O)OCc4ccccc4)CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
ENPP2 Q13822 1/20 0.40
ATXN2 Q99700 1/20 0.40
GRM5 P41594 2/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIN2B Q13224 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL5750818 0.92 GRM5 (0.41) OPRD1OPRK1ENPP2ATXN2GRM5
SCHEMBL3956508 0.86 OGA (0.36) GRM5SCN9AOGA
SCHEMBL5748885 0.77 KCNH2 (0.44) OPRD1OPRK1ENPP2ATXN2HDAC1
SCHEMBL5749685 0.77 KCNH2 (0.44) OPRD1OPRK1ENPP2ATXN2SCN5A
SCHEMBL1222803 0.76 CYP8B1 (0.43) HDAC1MEN1KMT2ANPSR1GRIN2B
SCHEMBL1148213 0.74 KCNH2 (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1148210 0.74 KCNH2 (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1148209 0.74 KCNH2 (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5747115 0.74 KCNH2 (0.41) OPRD1OPRK1ENPP2ATXN2HDAC1
SCHEMBL5656548 0.73 SMN1; SMN2 (0.56) ENPP2CYP3A4GRIN2BSMN1; SMN2NPC1

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 OPRD1 220/4885OPRK1 601/4885ENPP2 1105/4885

“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.