SCHEMBL6807079

SCHEMBL6807079

CC(=O)c1cc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)ccc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
PLAU P00749 1/20 0.37
ROCK2 O75116 4/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NR4A1 P22736 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
WNT3A P56704 3/20 0.36
HTR1D P28221 1/20 0.36

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
Hydrochloric Acid SCHEMBL6918109 0.99 KCNQ3 (0.42) KCNQ3KCNQ2KCNK3KCNK9PLAU
SCHEMBL6806595 0.90 PLAU (0.46) KCNQ3KCNQ2PLAUROCK2RAF1
Hydrochloric Acid SCHEMBL6805840 0.89 PLAU (0.45) KCNQ3KCNQ2PLAUROCK2RAF1
SCHEMBL6806994 0.89 KCNQ3 (0.47) KCNQ3KCNQ2PLAUROCK2RAF1
Hydrochloric Acid SCHEMBL6802790 0.88 KCNQ3 (0.46) KCNQ3KCNQ2PLAUROCK2RAF1
SCHEMBL6806527 0.86 XDH (0.43) KCNQ3KCNQ2ROCK2
Hydrochloric Acid SCHEMBL6806410 0.86 XDH (0.42) KCNQ3KCNQ2ROCK2
SCHEMBL6810117 0.85 LCK (0.42) BRAFSMN1; SMN2MAPTALOX15ALOX12
Hydrochloric Acid SCHEMBL6802650 0.84 LCK (0.42) BRAFSMN1; SMN2MAPTALOX15ALOX12
SCHEMBL7661417 0.84 ROCK2 (0.44) KCNQ3KCNQ2KCNK3KCNK9ROCK2

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
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP claimed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US claimed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 US disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 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 (1 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-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity CNR1, SCN1B, CNR2 KCNQ3 77/4885KCNQ2 123/4885KCNK3 171/4885

“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.