SCHEMBL4465004

SCHEMBL4465004

CN1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C[C@@H]1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.59
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ATM Q13315 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
S1PR1 P21453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4465011 1.00 CNR2 (0.59) CNR2LMNAKDM4EATMALDH1A1
SCHEMBL4485570 0.87 CNR2 (0.57) CNR2LMNAKDM4EATMALDH1A1
SCHEMBL4468306 0.86 CNR2 (0.56) CNR2LMNAKDM4EATMALDH1A1
SCHEMBL4471991 0.85 CNR2 (0.54) CNR2LMNAKDM4EATMALDH1A1
SCHEMBL4481105 0.85 CNR2 (0.54) CNR2LMNAKDM4EATMALDH1A1
SCHEMBL4471986 0.85 CNR2 (0.54) CNR2LMNAKDM4EATMALDH1A1
SCHEMBL4477665 0.85 CNR2 (0.54) CNR2LMNAKDM4EATMALDH1A1
SCHEMBL4475494 0.84 CNR2 (0.54) CNR2
SCHEMBL4475484 0.84 CNR2 (0.54) CNR2
SCHEMBL4476107 0.83 CNR2 (0.66) CNR2LMNAKDM4EATMALDH1A1

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-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 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
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 2/4885LMNA 3602/4885KDM4E 2472/4885

“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.