SCHEMBL6800259

SCHEMBL6800259

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
ROCK2 O75116 4/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NR4A1 P22736 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 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
Hydrochloric Acid SCHEMBL6801947 0.99 GAA (0.39) GAAMAPTHSD17B10NPSR1NPC1
SCHEMBL6811702 0.93 GAA (0.41) GAAMAPTHSD17B10NPC1RAB9A
Hydrochloric Acid SCHEMBL6803671 0.92 GAA (0.41) GAAMAPTHSD17B10NPC1RAB9A
SCHEMBL6805450 0.85 GAA (0.41) GAANPC1RAB9APOLBROCK2
SCHEMBL7764190 0.85 ROCK2 (0.46) GAAMAPTNPC1RAB9APOLB
SCHEMBL6806932 0.85 KMT2A (0.49) MAPTHSD17B10NPC1RAB9APOLB
Hydrochloric Acid SCHEMBL6809944 0.84 KMT2A (0.48) MAPTHSD17B10NPC1RAB9APOLB
SCHEMBL6805046 0.84 NPC1 (0.51) MAPTHSD17B10NPC1RAB9APOLB
SCHEMBL6805130 0.84 KCNQ3 (0.54) NPC1RAB9APOLBROCK2CYP3A4
Hydrochloric Acid SCHEMBL6805452 0.83 NPC1 (0.50) MAPTHSD17B10NPC1RAB9APOLB

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 9 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
EP-1084122-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP claimed
WO-1999065903-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1999-12-23 WO 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 GAA 4585/4885MAPT 2605/4885HSD17B10 844/4885

“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.