SCHEMBL29977161

SCHEMBL29977161

COc1ccc(C2(O)CN(C(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.49
PIK3CD O00329 1/20 0.43
PIK3CA P42336 2/20 0.41
MMP13 P45452 1/20 0.40
BACE1 P56817 2/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
NR1H2 P55055 1/20 0.39
NNMT P40261 1/20 0.38
RORC P51449 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
MET P08581 1/20 0.36
AXL P30530 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36

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
SCHEMBL28548511 1.00 GPR119 (0.49) GPR119PIK3CDPIK3CAMMP13BACE1
SCHEMBL3469434 0.91 GPR119 (0.48) GPR119PIK3CDPIK3CAMMP13BACE1
SCHEMBL27210984 0.89 GPR119 (0.47) GPR119PIK3CDPIK3CAMMP13BACE1
SCHEMBL29457438 0.89 GPR119 (0.47) GPR119PIK3CDPIK3CAMMP13BACE1
SCHEMBL3024794 0.88 GPR119 (0.53) GPR119PIK3CDPIK3CAMMP13BACE1
SCHEMBL28543202 0.86 GPR119 (0.46) GPR119PIK3CDPIK3CAMMP13BACE1
SCHEMBL29977466 0.86 GPR119 (0.46) GPR119PIK3CDPIK3CAMMP13BACE1
SCHEMBL30901868 0.86 RORC (0.42) GPR119NR1H2RORCPOLBHTT
SCHEMBL21063462 0.86 RORC (0.42) GPR119NR1H2RORCPOLBHTT
SCHEMBL23949975 0.84 POLB (0.42) NR1H2RORCPOLBHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK GPR119 286/4885PIK3CD 1327/4885PIK3CA 922/4885

“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.