SCHEMBL5748387

SCHEMBL5748387

CON(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccnc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
DTYMK P23919 1/20 0.37
GRM5 P41594 1/20 0.36
MAP4K4 O95819 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GBA1 P04062 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL5747116 0.91 POLB (0.41) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL5748603 0.91 POLB (0.41) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL5801156 0.87 POLB (0.39) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL5775824 0.85 POLB (0.47) POLBGPR119DTYMKGRM5MAP4K4
SCHEMBL633008 0.80 USP30 (0.42) POLBGPR119DTYMKGRM5USP30
SCHEMBL5747118 0.79 OPRK1 (0.38) OPRD1OPRK1GRM5CYP2D6
SCHEMBL5509551 0.76 ALDH1A1 (0.42) POLBGPR119ALDH1A1
SCHEMBL5739690 0.74 NFKB1 (0.33) GPR119MAP4K4ALDH1A1JAK2JAK1
SCHEMBL5749911 0.72 HTR1A (0.32)
SCHEMBL22389832 0.70 POLB (0.54) POLBGPR119OPRD1OPRK1DTYMK

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 POLB 980/4885GPR119 4382/4885OPRD1 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.