SCHEMBL3074677

SCHEMBL3074677

O=C(O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.71
POLB P06746 1/20 0.71
PKM P14618 1/20 0.67
SMN1; SMN2 Q16637 5/20 0.63
HTT P42858 5/20 0.63
LMNA P02545 5/20 0.63
MAPT P10636 4/20 0.63
HPGD P15428 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
CNR2 P34972 1/20 0.59
ALDH1A1 P00352 2/20 0.57
ABL1 P00519 1/20 0.56
GALR3 O60755 1/20 0.56
NR2F2 P24468 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL3903304 0.95 LMNA (0.69) KDM4EPOLBPKMSMN1; SMN2HTT
SCHEMBL5234185 0.90 KDM4E (0.59) KDM4EPOLBPKMSMN1; SMN2HTT
SCHEMBL30567172 0.88 KDM4E (0.69) KDM4EPOLBPKMSMN1; SMN2HTT
SCHEMBL3076539 0.86 MEN1 (0.78) KDM4EPOLBPKMSMN1; SMN2HTT
SCHEMBL5232948 0.84 MGLL (0.60) KDM4EPOLBPKMSMN1; SMN2HTT
SCHEMBL22581855 0.83 KDM4E (0.69) KDM4EPOLBPKMSMN1; SMN2HTT
SCHEMBL13094486 0.83 KDM4E (0.90) KDM4EPOLBPKMSMN1; SMN2HTT
SCHEMBL5237745 0.83 MGLL (0.60) KDM4EPOLBPKMSMN1; SMN2HTT
SCHEMBL26126743 0.82 KDM4E (0.49) KDM4EPOLBPKMSMN1; SMN2HTT
SCHEMBL18711414 0.82 SMN1; SMN2 (0.70) KDM4EPOLBSMN1; SMN2HTTLMNA

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 10 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-8703761-B2 Organic compounds NOVARTIS AG (CH) 2014-04-22 US disclosed
EP-2559455-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2013-02-20 EP disclosed
EP-2548618-A2 Organic compounds Novartis AG (CH) 2013-01-23 EP 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
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 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 (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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 KDM4E 2422/4885POLB 4326/4885PKM 3716/4885
US-20100022513-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 KDM4E 2341/4885POLB 2082/4885PKM 1207/4885

“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.