SCHEMBL6802166

SCHEMBL6802166

CCC(=O)c1cc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
ROCK2 O75116 2/20 0.38
PRKG1 Q13976 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
HPGD P15428 1/20 0.36
ATR Q13535 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
SCHEMBL6807376 0.86 KMT2A (0.48) KCNQ3KCNQ2MEN1KMT2ANPC1
SCHEMBL6916686 0.85 NPC1 (0.52) KCNQ3KCNQ2MEN1KMT2ANPC1
SCHEMBL6806456 0.85 KCNQ3 (0.55) KCNQ3KCNQ2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6802174 0.85 KMT2A (0.47) KCNQ3KCNQ2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6807023 0.84 NPC1 (0.51) KCNQ3KCNQ2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6805319 0.84 KCNQ3 (0.54) KCNQ3KCNQ2MEN1KMT2ANPC1
SCHEMBL6811702 0.83 GAA (0.41) GAAKCNQ3KCNQ2ROCK2MEN1
SCHEMBL6811926 0.83 BRAF (0.47) KCNQ3KCNQ2MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6803671 0.82 GAA (0.41) GAAKCNQ3KCNQ2ROCK2MEN1
Hydrochloric Acid SCHEMBL6811272 0.82 BRAF (0.46) MEN1KMT2AMAPTHTTCYP2D6

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 11 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
EP-1084122-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-1999065903-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1999-12-23 WO 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 4585/4885KCNQ3 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.