SCHEMBL3081074

SCHEMBL3081074

O=C(C1CCOCC1)N1CCCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.69
ALDH1A1 P00352 4/20 0.67
RAB9A P51151 4/20 0.67
HSD17B10 Q99714 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.62
MAPK1 P28482 3/20 0.62
AR P10275 2/20 0.59
LMNA P02545 3/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
TSHR P16473 1/20 0.58
NPC1 O15118 3/20 0.58
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL10253692 0.82 CNR2 (1.00) CNR2ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL3074624 0.82 DPP4 (0.61) CNR2ALDH1A1HSD17B10SMN1; SMN2MAPK1
SCHEMBL3084495 0.82 CNR2 (1.00) CNR2RAB9AMAPK1MAPTNPC1
SCHEMBL3075247 0.79 MAPT (0.77) CNR2ALDH1A1RAB9AHSD17B10SMN1; SMN2
SCHEMBL3761593 0.77 RAB9A (0.74) ALDH1A1RAB9AHSD17B10SMN1; SMN2MAPK1
SCHEMBL2558385 0.77 SMN1; SMN2 (0.69) ALDH1A1RAB9AHSD17B10SMN1; SMN2MAPK1
SCHEMBL22334841 0.76 AR (0.65) ALDH1A1RAB9AHSD17B10SMN1; SMN2MAPK1
SCHEMBL6629014 0.76 AR (1.00) ALDH1A1RAB9AHSD17B10SMN1; SMN2MAPK1
SCHEMBL18674602 0.75 RAB9A (0.75) ALDH1A1RAB9AHSD17B10SMN1; SMN2MAPK1
SCHEMBL18674667 0.75 SMN1; SMN2 (0.63) ALDH1A1RAB9AHSD17B10SMN1; SMN2AR

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 9 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 claimed
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP claimed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO claimed
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
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO 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 CNR2 2/4885ALDH1A1 2369/4885RAB9A 3016/4885

“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.