SCHEMBL5775824

SCHEMBL5775824

CON(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccnc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GPR119 Q8TDV5 4/20 0.43
DTYMK P23919 1/20 0.42
MAP4K4 O95819 1/20 0.41
GBA1 P04062 2/20 0.39
ACHE P22303 1/20 0.39
CFTR P13569 1/20 0.39
GRM5 P41594 1/20 0.39
KDR P35968 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
PDE10A Q9Y233 1/20 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
SCHEMBL5748387 0.85 POLB (0.41) POLBGPR119DTYMKMAP4K4GBA1
SCHEMBL5747116 0.85 POLB (0.41) POLBGPR119DTYMKMAP4K4GBA1
SCHEMBL5748603 0.85 POLB (0.41) POLBGPR119DTYMKMAP4K4GBA1
SCHEMBL633008 0.84 USP30 (0.42) POLBGPR119DTYMKGRM5PDE10A
SCHEMBL5801156 0.82 POLB (0.39) POLBGPR119DTYMKMAP4K4GRM5
SCHEMBL5509551 0.78 ALDH1A1 (0.42) POLBGPR119
SCHEMBL5747118 0.76 OPRK1 (0.38) ACHEGRM5
SCHEMBL23360226 0.74 ALDH1A1 (0.51) POLBGPR119DTYMK
SCHEMBL20223124 0.73 MAP4K4 (0.58) POLBGPR119DTYMKMAP4K4GBA1
SCHEMBL5363583 0.73 MAP4K4 (0.52) POLBGPR119MAP4K4GBA1ACHE

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-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP disclosed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 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-20040077655-A1 Piperazine derivatives for treatment of bacterial infections MYD88, THPO, PIGO POLB 421/4885GPR119 3182/4885DTYMK 1388/4885

“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.