SCHEMBL16966622

SCHEMBL16966622

O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCNC2(CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 1.00
▸ SCN7A Q01118 4/20 0.77
▸ KCNH2 Q12809 4/20 0.77
▸ SCN5A Q14524 4/20 0.77
▸ SCN10A Q9Y5Y9 3/20 0.77
▸ SCN2A Q99250 1/20 0.77
▸ SCN8A Q9UQD0 1/20 0.77

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
SCHEMBL16966884 0.97 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967244 0.87 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16966968 0.87 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16966942 0.86 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967130 0.86 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967301 0.86 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967297 0.85 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16966724 0.85 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16966602 0.84 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967317 0.84 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226062-A9 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE ABBVIE INC. 2017-08-10 — — US claimed
EP-3102569-A1 6-HETEROARYLOXY- AND 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND USES THEREOF AbbVie Inc. (US) 2016-12-14 — — EP claimed
US-20160355482-A1 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE ABBVIE INC (US) 2016-12-08 — — US claimed
US-9452986-B2 6-heteroaryloxy- or 6-aryloxy-quinoline-2-carboxamides and method of use ABBVIE INC. (US) 2016-09-27 — — US claimed
WO-2015119998-A1 6-HETEROARYLOXY- AND 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND USES THEREOF ABBVIE, INC. (US) 2015-08-13 — — WO claimed
US-20150218102-A1 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE ABBVIE INC. 2015-08-06 — — US claimed
US-20180334435-A1 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE ABBVIE INC. 2018-11-22 — — US disclosed
US-9969693-B2 6-heteroaryloxy- or 6-aryloxy-quinoline-2-carboxamides and method of use ABBVIE INC. (US) 2018-05-15 — — US disclosed
US-20170226062-A9 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE ABBVIE INC. 2017-08-10 — — US disclosed
EP-3102569-A1 6-HETEROARYLOXY- AND 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND USES THEREOF AbbVie Inc. (US) 2016-12-14 — — EP disclosed
US-20160355482-A1 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE ABBVIE INC (US) 2016-12-08 — — US disclosed
US-9452986-B2 6-heteroaryloxy- or 6-aryloxy-quinoline-2-carboxamides and method of use ABBVIE INC. (US) 2016-09-27 — — US disclosed
WO-2015119998-A1 6-HETEROARYLOXY- AND 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND USES THEREOF ABBVIE, INC. (US) 2015-08-13 — — WO disclosed
US-20150218102-A1 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE ABBVIE INC. 2015-08-06 — — 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 (4 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-20170226062-A9 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE SCN8A, SCN7A, SCN2A SCN9A 21/4885SCN7A 2/4885KCNH2 11/4885
US-20180334435-A1 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE SCN8A, SCN7A, SCN2A SCN9A 21/4885SCN7A 2/4885KCNH2 11/4885
US-20160355482-A1 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE SCN8A, SCN7A, SCN2A SCN9A 21/4885SCN7A 2/4885KCNH2 11/4885
US-20150218102-A1 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE SCN8A, SCN7A, SCN2A SCN9A 21/4885SCN7A 2/4885KCNH2 11/4885

“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.

Send feedback