SCHEMBL17025486

SCHEMBL17025486

O=c1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(O)cc3)c3ccc(Cl)cc3)ccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 1.00
CNR2 P34972 13/20 1.00
CYP2C19 P33261 1/20 0.74

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
SCHEMBL17025503 0.96 CNR1 (1.00) CNR1CNR2CYP2C19
SCHEMBL17032564 0.92 CNR1 (1.00) CNR1CNR2CYP2C19
SCHEMBL17032567 0.92 CNR1 (1.00) CNR1CNR2CYP2C19
SCHEMBL17025662 0.92 CNR1 (1.00) CNR1CNR2CYP2C19
SCHEMBL17025479 0.90 CNR1 (1.00) CNR1CNR2CYP2C19
SCHEMBL17025579 0.89 CNR1 (1.00) CNR1CNR2CYP2C19
SCHEMBL17032565 0.88 CNR1 (1.00) CNR1CNR2CYP2C19
SCHEMBL17025495 0.88 CNR1 (0.85) CNR1CNR2CYP2C19
SCHEMBL17032513 0.86 CNR1 (0.92) CNR1CNR2
SCHEMBL17025559 0.85 CNR1 (1.00) CNR1CNR2CYP2C19

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-9464055-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-11 US disclosed
US-9464055-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-11 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-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-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US 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-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885CYP2C19 958/4885
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885CYP2C19 958/4885

“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.