SCHEMBL6806527

SCHEMBL6806527

CC(C)Oc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.43
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
ROCK2 O75116 5/20 0.39
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
RORC P51449 1/20 0.38

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 SCHEMBL6806410 0.99 XDH (0.42) XDHS1PR1S1PR3KCNQ3KCNQ2
SCHEMBL6805984 0.92 CSF1R (0.44) ROCK2RORC
Hydrochloric Acid SCHEMBL6807637 0.91 CSF1R (0.43) ROCK2RORC
SCHEMBL6806470 0.90 MAPT (0.44) S1PR1S1PR3KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL6805534 0.90 MAPT (0.43) S1PR1S1PR3KCNQ3KCNQ2
SCHEMBL6806888 0.88 ROCK2 (0.38) KCNQ3KCNQ2ROCK2KCNE1KCNQ1
SCHEMBL6806595 0.87 PLAU (0.46) KCNQ3KCNQ2ROCK2
Hydrochloric Acid SCHEMBL6806393 0.87 ROCK2 (0.37) KCNQ3KCNQ2ROCK2KCNE1KCNQ1
Hydrochloric Acid SCHEMBL6805840 0.86 PLAU (0.45) KCNQ3KCNQ2ROCK2
SCHEMBL6807079 0.86 KCNQ3 (0.43) KCNQ3KCNQ2ROCK2

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 XDH 1833/4885S1PR1 1204/4885S1PR3 724/4885

“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.