SCHEMBL3075186

SCHEMBL3075186

O=C(O)N1CCCN(c2ncc(Cl)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.47
PHGDH O43175 1/20 0.46
LMNA P02545 4/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RY12 Q9H244 5/20 0.43
HTT P42858 1/20 0.42
LIPE Q05469 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL14735155 0.94 PHGDH (0.50) PHGDHLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL13106057 0.86 MDM2 (0.44) CNR2LMNAPKMTP53
SCHEMBL27829814 0.84 PHGDH (0.51) PHGDHLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL3075661 0.83 CNR2 (0.67) CNR2LMNAPKMKMT2ASMN1; SMN2
SCHEMBL18362064 0.81 PHGDH (0.52) CNR2PHGDHLMNAKMT2ASMN1; SMN2
SCHEMBL6826032 0.81 P2RY12 (0.49) P2RY12
SCHEMBL19212256 0.80 KMT2A (0.46) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL27927936 0.80 ABL1 (0.44) PHGDHLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL27741480 0.80 SMN1; SMN2 (0.46) LMNAKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL20965429 0.80 PHGDH (0.46) CNR2PHGDHLMNAKMT2ASMN1; SMN2

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-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
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

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 2/4885PHGDH 3260/4885LMNA 4272/4885

“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.