SCHEMBL5750818

SCHEMBL5750818

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRD1 P41143 1/20 0.41
KDM1A O60341 2/20 0.40
ENPP2 Q13822 1/20 0.40
ATXN2 Q99700 1/20 0.40
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CYP3A4 P08684 3/20 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 6/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 3/20 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
SCHEMBL5747753 0.92 OPRD1 (0.41) GRM5OPRK1OPRD1ENPP2ATXN2
SCHEMBL3956508 0.78 OGA (0.36) GRM5OGASCN9A
SCHEMBL5748885 0.77 KCNH2 (0.44) OPRK1OPRD1ENPP2ATXN2HDAC3
SCHEMBL5749685 0.77 KCNH2 (0.44) OPRK1OPRD1ENPP2ATXN2HDAC3
SCHEMBL1222803 0.76 CYP8B1 (0.43) HDAC1MEN1KMT2ANPSR1GRIN2B
SCHEMBL5747115 0.74 KCNH2 (0.41) OPRK1OPRD1ENPP2ATXN2HDAC3
SCHEMBL5656548 0.73 SMN1; SMN2 (0.56) ENPP2CYP3A4GRIN2BNPC1RAB9A
SCHEMBL1222889 0.70 DPP4 (0.41) HDAC1MEN1KMT2ANPSR1NPC1
SCHEMBL15956075 0.69 GRM5 (0.58) GRM5OPRK1OPRD1KDM1AENPP2
SCHEMBL5748204 0.69 SMN1; SMN2 (0.59) OPRK1OPRD1KDM1AENPP2ATXN2

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 GRM5 2193/4885OPRK1 601/4885OPRD1 220/4885

“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.