SCHEMBL16966955

SCHEMBL16966955

O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@H](O)[C@H](F)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 1.00
▸ SCN7A Q01118 2/20 0.84
▸ KCNH2 Q12809 2/20 0.84
▸ SCN5A Q14524 2/20 0.84
▸ SCN10A Q9Y5Y9 2/20 0.84
▸ SCN8A Q9UQD0 1/20 0.84

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
SCHEMBL16966950 1.00 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967219 1.00 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16966952 1.00 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967216 1.00 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967288 0.94 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967273 0.94 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967284 0.94 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967271 0.94 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16967274 0.94 SCN9A (1.00) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL16966957 0.94 SCN9A (0.89) 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 10 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
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
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
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
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.

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