SCHEMBL10048908

SCHEMBL10048908

COc1ccc(CSc2ccc3c(c2)nc(C(C)(C)C)n3CC2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.60
CNR1 P21554 1/20 0.52
P2RX3 P56373 2/20 0.49
KCNH2 Q12809 1/20 0.44
ACP1 P24666 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
SCHEMBL10048912 0.90 CNR2 (0.69) CNR2CNR1KCNH2
SCHEMBL10048960 0.90 CNR2 (0.62) CNR2CNR1P2RX3KCNH2
SCHEMBL13605778 0.88 CNR2 (0.48) CNR2CNR1P2RX3KCNH2
SCHEMBL13605687 0.88 CNR2 (0.49) CNR2CNR1P2RX3KCNH2
SCHEMBL10048934 0.87 CNR2 (0.58) CNR2CNR1P2RX3KCNH2
SCHEMBL10048963 0.87 CNR2 (0.59) CNR2CNR1KCNH2
SCHEMBL13605679 0.87 CNR2 (0.53) CNR2CNR1P2RX3KCNH2
SCHEMBL13605683 0.86 CNR2 (0.46) CNR2CNR1P2RX3KCNH2
SCHEMBL10048851 0.85 CNR2 (0.45) CNR2CNR1P2RX3KCNH2
SCHEMBL13605697 0.85 CNR2 (0.55) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284303-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-15 US disclosed
EP-2142531-B1 BENZIMIDAZOLE CANNABINOID AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-07-08 EP disclosed
US-8524757-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV (BE) 2013-09-03 US disclosed
US-8524757-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV (BE) 2013-09-03 US disclosed
US-8193369-B2 Benzimidazole cannabinoid agonists JANSSEN PHARMACEUTICA NV (BE) 2012-06-05 US disclosed
US-8193369-B2 Benzimidazole cannabinoid agonists JANSSEN PHARMACEUTICA NV (BE) 2012-06-05 US disclosed
US-20100041702-A1 BENZIMIDAZOLE CANNABINOID AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-18 US disclosed
US-20100041702-A1 BENZIMIDAZOLE CANNABINOID AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-18 US disclosed
US-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 US disclosed
US-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 US disclosed
WO-2008119694-A1 BENZIMIDAZOLE CANNABINOID AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-10-09 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 (2 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-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885P2RX3 194/4885
US-20100041702-A1 BENZIMIDAZOLE CANNABINOID AGONISTS CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885P2RX3 176/4885

“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.