SCHEMBL4477946

SCHEMBL4477946

O=C(c1ccccc1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C[C@H]1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.58
CA2 P00918 10/20 0.58
CA4 P22748 10/20 0.58
CA9 Q16790 10/20 0.58
CNR2 P34972 3/20 0.53
ABCB1 P08183 1/20 0.46
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
GHSR Q92847 1/20 0.43
ROCK1 Q13464 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
SCHEMBL4469540 1.00 CA1 (0.58) CA1CA2CA4CA9CNR2
SCHEMBL4469538 1.00 CA1 (0.58) CA1CA2CA4CA9CNR2
SCHEMBL4471991 0.89 CNR2 (0.54) CA1CA2CA4CA9CNR2
SCHEMBL4481105 0.89 CNR2 (0.54) CA1CA2CA4CA9CNR2
SCHEMBL4471986 0.89 CNR2 (0.54) CA1CA2CA4CA9CNR2
SCHEMBL4488382 0.89 CNR2 (0.53) CA1CA2CA4CA9CNR2
SCHEMBL4484213 0.89 CNR2 (0.53) CA1CA2CA4CA9CNR2
SCHEMBL4484211 0.89 CNR2 (0.53) CA1CA2CA4CA9CNR2
SCHEMBL4466076 0.88 CNR2 (0.52) CA1CA2CA4CA9CNR2
SCHEMBL4475901 0.88 CNR2 (0.52) CA1CA2CA4CA9CNR2

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 CA1 3294/4885CA2 1937/4885CA4 3599/4885

“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.