SCHEMBL3076539

SCHEMBL3076539

O=C(c1ccc(C(F)(F)F)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
CYP1A2 P05177 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
LMNA P02545 4/20 0.69
HTT P42858 4/20 0.69
ALDH1A1 P00352 2/20 0.69
KDM4E B2RXH2 8/20 0.67
POLB P06746 1/20 0.67
NAMPT P43490 1/20 0.63
PKM P14618 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
HPGD P15428 2/20 0.60
TSHR P16473 1/20 0.60
MAPT P10636 1/20 0.60
SLC6A7 Q99884 1/20 0.57

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
SCHEMBL3074677 0.86 KDM4E (0.71) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17599746 0.85 MEN1 (0.74) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL30567172 0.85 KDM4E (0.69) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13094486 0.82 KDM4E (0.90) LMNAHTTALDH1A1KDM4EPOLB
SCHEMBL14686564 0.82 MEN1 (0.66) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL30715163 0.81 MEN1 (0.69) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL23578387 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL30165119 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3903304 0.80 LMNA (0.69) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL22581855 0.80 KDM4E (0.69) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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 MEN1 4504/4885KMT2A 2563/4885CYP1A2 664/4885

“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.