SCHEMBL6806622

SCHEMBL6806622

CC(C)Oc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.45
KCNQ3 O43525 3/20 0.43
KCNQ2 O43526 3/20 0.43
BRAF P15056 9/20 0.39
RAF1 P04049 4/20 0.39
KCNE1 P15382 2/20 0.39
KCNQ1 P51787 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL6811926 0.91 BRAF (0.47) KCNQ3KCNQ2BRAFRAF1KDM4E
Hydrochloric Acid SCHEMBL6811272 0.90 BRAF (0.46) BRAFRAF1KDM4EMEN1CYP2D6
SCHEMBL6807469 0.90 KCNQ3 (0.43) KCNQ3KCNQ2BRAFRAF1KCNE1
Hydrochloric Acid SCHEMBL6806934 0.89 KCNQ3 (0.42) KCNQ3KCNQ2BRAFRAF1KCNE1
SCHEMBL6810417 0.86 KCNQ3 (0.43) KCNQ3KCNQ2BRAFRAF1MAPT
Hydrochloric Acid SCHEMBL6806383 0.86 KCNQ3 (0.42) KCNQ3KCNQ2BRAFRAF1MAPT
SCHEMBL6806448 0.85 RAF1 (0.46) KCNQ3KCNQ2BRAFRAF1KCNE1
SCHEMBL6806598 0.84 BRAF (0.41) KCNQ3KCNQ2BRAFRAF1KDM4E
SCHEMBL6806456 0.81 KCNQ3 (0.55) KCNQ3KCNQ2KCNE1KCNQ1MEN1
Hydrochloric Acid SCHEMBL6805319 0.80 KCNQ3 (0.54) KCNQ3KCNQ2KCNE1KCNQ1MEN1

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 S1PR3 724/4885KCNQ3 77/4885KCNQ2 123/4885

“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.