SCHEMBL3623892

SCHEMBL3623892

CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2)[C@@H](n2ccnc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
STS P08842 1/20 0.45
LMNA P02545 1/20 0.45
ACHE P22303 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
USP30 Q70CQ3 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 2/20 0.42
TACR1 P25103 1/20 0.42
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3617706 0.87 SMN1; SMN2 (0.39) TACR1GAASMN1; SMN2
SCHEMBL12281464 0.82 STS (0.53) GPR119JAK2JAK1STSLMNA
SCHEMBL2252656 0.82 STS (0.53) GPR119JAK2JAK1STSLMNA
SCHEMBL556232 0.82 STS (0.53) GPR119JAK2JAK1STSLMNA
SCHEMBL29643908 0.82 STS (0.53) GPR119JAK2JAK1STSLMNA
SCHEMBL12131760 0.82 STS (0.53) GPR119JAK2JAK1STSLMNA
SCHEMBL2253056 0.82 STS (0.53) GPR119JAK2JAK1STSLMNA
SCHEMBL2845368 0.81 GPR119 (0.48) GPR119JAK2JAK1STSLMNA
SCHEMBL2854687 0.81 GPR119 (0.51) GPR119JAK2JAK1STSLMNA
SCHEMBL2854684 0.81 GPR119 (0.51) GPR119JAK2JAK1STSLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 US disclosed
EP-2064209-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2008020222-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2008-02-21 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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS GPR119 4408/4885JAK2 1801/4885JAK1 1265/4885

“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.