SCHEMBL5801156

SCHEMBL5801156

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
JAK2 O60674 11/20 0.38
JAK1 P23458 11/20 0.38
GPR119 Q8TDV5 3/20 0.38
GRM5 P41594 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
DTYMK P23919 1/20 0.35
MAP4K4 O95819 1/20 0.34

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 0.87 POLB (0.41) POLBJAK2JAK1GPR119GRM5
SCHEMBL5748387 0.87 POLB (0.41) POLBJAK2JAK1GPR119GRM5
SCHEMBL5748603 0.87 POLB (0.41) POLBJAK2JAK1GPR119GRM5
SCHEMBL5775824 0.82 POLB (0.47) POLBGPR119GRM5DTYMKMAP4K4
SCHEMBL633008 0.77 USP30 (0.42) POLBGPR119GRM5DTYMK
SCHEMBL5747118 0.76 OPRK1 (0.38) GRM5OPRD1OPRK1
SCHEMBL5509551 0.71 ALDH1A1 (0.42) POLBGPR119
SCHEMBL3492076 0.71 JAK2 (0.53) POLBJAK2JAK1GPR119GRM5
SCHEMBL5801155 0.70 KCNH2 (0.42) JAK2JAK1GPR119MAP4K4
SCHEMBL5739690 0.70 NFKB1 (0.33) JAK2JAK1GPR119MAP4K4

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 980/4885JAK2 1673/4885JAK1 2925/4885

“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.