SCHEMBL4101733

SCHEMBL4101733

O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC2=Cc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.67
CNR2 P34972 8/20 0.67

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
SCHEMBL2715604 1.00 CNR1 (0.67) CNR1CNR2
SCHEMBL13871593 1.00 CNR1 (0.67) CNR1CNR2
SCHEMBL4101730 1.00 CNR1 (0.67) CNR1CNR2
SCHEMBL3157487 0.99 CNR1 (0.69) CNR1CNR2
SCHEMBL176646 0.99 CNR1 (0.69) CNR1CNR2
SCHEMBL3157484 0.99 CNR1 (0.69) CNR1CNR2
SCHEMBL176647 0.99 CNR1 (0.69) CNR1CNR2
SCHEMBL3087440 0.97 CNR1 (0.65) CNR1CNR2
SCHEMBL3087438 0.97 CNR1 (0.65) CNR1CNR2
SCHEMBL13871584 0.95 CNR2 (0.69) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815790-B2 Chemically modified quinoline and quinolone derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-11-14 US disclosed
US-9732061-B2 Cinnoline derivatives useful as CB-1 receptor inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US disclosed
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-9682940-B2 Indazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
WO-2017034872-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057922-A1 CHEMICALLY MODIFIED QUINOLINE AND QUINOLONE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US disclosed
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US disclosed
US-9464055-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-11 US disclosed
WO-2016115013-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 WO disclosed
US-20160200719-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-07-14 US disclosed
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists JANSSEN PHARMACEUTICA NV (BE) 2016-03-10 US disclosed
US-9266835-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
US-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US disclosed
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US disclosed
US-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS LAGU BHARAT 2009-04-16 US disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 US disclosed
EP-1735286-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-27 EP disclosed
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 US disclosed
WO-2005095353-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 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 (8 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-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators CNR2, CNR1, GPR18 CNR1 2/4885CNR2 1/4885
US-20170057922-A1 CHEMICALLY MODIFIED QUINOLINE AND QUINOLONE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, OPRK1 CNR1 1/4885CNR2 2/4885
US-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS CNR2, CNR1, GPR18 CNR1 2/4885CNR2 1/4885
US-20160200719-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CNR1 1/4885CNR2 3/4885
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885

“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.