SCHEMBL3072567

SCHEMBL3072567

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
POLB P06746 1/20 0.57
NAMPT P43490 1/20 0.56
TRPV1 Q8NER1 5/20 0.52
HPGDS O60760 1/20 0.52
KMT2A Q03164 1/20 0.51
EPHX2 P34913 1/20 0.51
FAAH O00519 1/20 0.51
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
GOT1 P17174 1/20 0.50

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
SCHEMBL655599 0.94 POLB (0.63) MAPTCNR1CNR2POLBNAMPT
Hydrochloric Acid SCHEMBL23246046 0.93 POLB (0.66) MAPTCNR1CNR2POLBNAMPT
SCHEMBL14306236 0.87 MAPT (0.69) MAPTCNR1CNR2NAMPTTRPV1
SCHEMBL4559682 0.87 MAPT (0.73) MAPTCNR1CNR2NAMPTTRPV1
Hydrochloric Acid SCHEMBL28861578 0.87 POLB (0.58) MAPTCNR1CNR2POLBNAMPT
SCHEMBL6153200 0.86 KMT2A (0.69) MAPTCNR1CNR2NAMPTTRPV1
SCHEMBL13595575 0.82 POLB (0.61) POLBTRPV1KMT2AEPHX2FAAH
SCHEMBL2027079 0.81 POLB (0.85) MAPTPOLBFAAHKDM4E
SCHEMBL15171023 0.80 CYP3A4 (0.72) NAMPTEPHX2
SCHEMBL2385073 0.80 POLB (0.55) MAPTPOLBHPGDS

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 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 MAPT 3696/4885CNR1 1/4885CNR2 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.