SCHEMBL4467575

SCHEMBL4467575

CC(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)cc2)C[C@H]1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA9 Q16790 4/20 0.50
CNR2 P34972 1/20 0.49
ROCK1 Q13464 1/20 0.48
ABCB1 P08183 2/20 0.47
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
GRM2 Q14416 1/20 0.46
MGLL Q99685 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 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
SCHEMBL4468592 1.00 CA1 (0.50) CA1CA2CA4CA9CNR2
SCHEMBL4466254 0.90 CA1 (0.48) CA1CA2CA4CA9CNR2
SCHEMBL4466251 0.90 CA1 (0.48) CA1CA2CA4CA9CNR2
SCHEMBL4470422 0.90 CA1 (0.48) CA1CA2CA4CA9CNR2
SCHEMBL4470987 0.89 CNR2 (0.55) CA1CA2CA4CA9CNR2
SCHEMBL4470982 0.89 CNR2 (0.55) CA1CA2CA4CA9CNR2
SCHEMBL4478689 0.89 CNR2 (0.55) CA1CA2CA4CA9CNR2
SCHEMBL13708853 0.89 CA1 (0.48) CA1CA2CA4CA9CNR2
SCHEMBL4472711 0.89 ROCK1 (0.50) CA1CA2CA4CA9CNR2
SCHEMBL13708851 0.89 CA1 (0.48) 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 7 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
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

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.