SCHEMBL6806470

SCHEMBL6806470

CCOc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
NR4A1 P22736 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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 SCHEMBL6805534 0.99 MAPT (0.43) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL6805984 0.91 CSF1R (0.44) NPC1POLBCYP3A4
SCHEMBL6806527 0.90 XDH (0.43) KCNQ3KCNQ2S1PR1S1PR3
Hydrochloric Acid SCHEMBL6807637 0.90 CSF1R (0.43) NPC1POLBCYP3A4
Hydrochloric Acid SCHEMBL6806410 0.90 XDH (0.42) KCNQ3KCNQ2S1PR1S1PR3
SCHEMBL6805375 0.89 ABL1 (0.40) KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL6916171 0.88 ABL1 (0.39) KCNQ3KCNQ2
SCHEMBL6805569 0.88 MAPT (0.58) MAPTALOX15ALOX12NR4A1SMN1; SMN2
SCHEMBL6806888 0.87 ROCK2 (0.38) SMN1; SMN2KCNQ3KCNQ2L3MBTL1
SCHEMBL6806458 0.87 MAPT (0.52) MAPTALOX15ALOX12NR4A1SMN1; SMN2

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 MAPT 2605/4885ALOX15 531/4885ALOX12 432/4885

“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.