SCHEMBL4471985

SCHEMBL4471985

O=C(Nc1ccccc1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
ROCK1 Q13464 1/20 0.51
FAAH O00519 6/20 0.48
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL13708832 1.00 CNR2 (0.51) CNR2ROCK1FAAHLMNAMEN1
SCHEMBL4691072 0.91 FAAH (0.53) ROCK1FAAHCA1CA2CA4
SCHEMBL4476870 0.90 CNR2 (0.52) CNR2ROCK1LMNAMEN1KMT2A
SCHEMBL4466288 0.87 ROCK1 (0.54) CNR2ROCK1FAAHCA1CA2
SCHEMBL4471991 0.87 CNR2 (0.54) CNR2ROCK1LMNAMEN1KMT2A
SCHEMBL4466286 0.87 ROCK1 (0.54) CNR2ROCK1FAAHCA1CA2
SCHEMBL4469872 0.87 ROCK1 (0.54) CNR2ROCK1FAAHCA1CA2
SCHEMBL4481105 0.87 CNR2 (0.54) CNR2ROCK1LMNAMEN1KMT2A
SCHEMBL4471986 0.87 CNR2 (0.54) CNR2ROCK1LMNAMEN1KMT2A
SCHEMBL4469512 0.86 CNR2 (0.56) CNR2FAAHHIF1AEPAS1PRKAB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 CNR2 2/4885ROCK1 1469/4885FAAH 158/4885

“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.