SCHEMBL3084399

SCHEMBL3084399

CC(C)(C)OC(=O)N1CCCN(C(=O)C2CCC(F)(F)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.66
RECQL P46063 1/20 0.56
CNR2 P34972 1/20 0.49
PREP P48147 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX1 P07099 1/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.42
IDH1 O75874 1/20 0.42
IDH2 P48735 1/20 0.42
EPHX2 P34913 1/20 0.41
USP2 O75604 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
SCHEMBL26125044 0.87 HPGD (0.79) HPGDRECQLPREPALDH1A1HTT
SCHEMBL1158811 0.86 HPGD (0.77) HPGDRECQLPREPALDH1A1HTT
SCHEMBL493585 0.84 HPGD (0.91) HPGDRECQLPREPALDH1A1HTT
SCHEMBL22657797 0.82 HPGD (0.77) HPGDRECQLPREPALDH1A1MEN1
SCHEMBL31706062 0.82 HPGD (0.76) HPGDRECQLPREPALDH1A1HTT
SCHEMBL2048225 0.82 HPGD (0.76) HPGDRECQLPREPALDH1A1HTT
SCHEMBL2820688 0.82 HPGD (0.72) HPGDRECQLPREPALDH1A1MEN1
SCHEMBL6544206 0.81 HPGD (0.97) HPGDRECQLPREPALDH1A1MEN1
SCHEMBL2246035 0.81 HPGD (0.79) HPGDRECQLPREPALDH1A1MEN1
SCHEMBL2677529 0.81 RECQL (0.74) HPGDRECQLCNR2PREPALDH1A1

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 HPGD 781/4885RECQL 4652/4885CNR2 2/4885

“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.