SCHEMBL3074712

SCHEMBL3074712

Cc1ccc2nc(N3CCCN(C(=O)OC(C)(C)C)CC3)oc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
MAP4K4 O95819 1/20 0.44
CNR2 P34972 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PDE10A Q9Y233 1/20 0.42
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
HPGD P15428 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
SCHEMBL13094458 0.83 CNR2 (0.50) CKS1BSKP1SKP2MAP4K4CNR2
SCHEMBL3264562 0.81 GAA (0.59) CKS1BSKP1SKP2CNR2KMT2A
SCHEMBL3078363 0.79 PTGES (0.52) CKS1BSKP1SKP2CNR2MEN1
SCHEMBL3075253 0.77 PTGES (0.62) CNR2MEN1KMT2A
SCHEMBL16569743 0.76 CKS1B (0.47) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL14686997 0.75 SMPD3 (0.49) CKS1BSKP1SKP2MAP4K4MEN1
SCHEMBL4176341 0.75 CKS1B (0.53) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL20140758 0.75 CKS1B (0.60) CKS1BSKP1SKP2MAP4K4MEN1
SCHEMBL4058660 0.75 GAA (0.64) CKS1BSKP1SKP2KMT2AMAPT
SCHEMBL13094453 0.75 CKS1B (0.55) CKS1BSKP1SKP2CNR2KMT2A

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
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 CKS1B 942/4885SKP1 2139/4885SKP2 1866/4885

“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.