SCHEMBL8085019

SCHEMBL8085019

CCOC(=O)c1ccc(N2CC3=C(CN(C(=O)OC(C)(C)C)C3)C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
ATM Q13315 1/20 0.44
OGA O60502 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.41
CRBN Q96SW2 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
RET P07949 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3402804 0.88 P2RY12 (0.47) P2RY12HRH3ATMOGASMN1; SMN2
SCHEMBL2427846 0.87 P2RY12 (0.62) P2RY12HRH3ATMOGASMN1; SMN2
SCHEMBL2297288 0.86 P2RY12 (0.58) P2RY12HRH3OGASMN1; SMN2HPGD
SCHEMBL31368898 0.85 P2RY12 (0.50) P2RY12HRH3ATMOGASMN1; SMN2
SCHEMBL1010764 0.84 HRH3 (0.50) P2RY12HRH3ATMOGASMN1; SMN2
SCHEMBL5216155 0.81 HRH3 (0.64) P2RY12HRH3SMN1; SMN2HPGDLMNA
SCHEMBL2296786 0.79 P2RY12 (0.53) P2RY12HRH3OGASMN1; SMN2HPGD
SCHEMBL2295686 0.77 SCD (0.51) P2RY12HRH3SMN1; SMN2HPGDLMNA
SCHEMBL19600884 0.77 GPR119 (0.52) P2RY12HRH3SMN1; SMN2HPGDCRBN
SCHEMBL8083829 0.76 OGA (0.44) HRH3ATMOGASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-8003677-B2 2-heteroaryl-pyrrolo[3,4-c]pyrrole derivatives and their use as SCD inhibitors SANOFI-AVENTIS (FR) 2011-08-23 US disclosed
EP-2152711-B1 2 -HETEROARYL- PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI AVENTIS (FR) 2010-11-24 EP disclosed
US-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
WO-2008135141-A1 2 -HETEROARYL- PYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2008-11-13 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 (2 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-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SCD, SCD5, PYCR1 P2RY12 3542/4885HRH3 4369/4885ATM 3889/4885
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SCD, SCD5, PYCR1 P2RY12 3064/4885HRH3 4344/4885ATM 3727/4885

“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.