SCHEMBL6806905

SCHEMBL6806905

Cc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MTOR P42345 4/20 0.47
HTR1D P28221 3/20 0.44
HTR1B P28222 3/20 0.44
HTR2A P28223 3/20 0.44
KCNQ3 O43525 3/20 0.40
KCNQ2 O43526 3/20 0.40
KCNE1 P15382 2/20 0.39
KCNQ1 P51787 2/20 0.39
KCNQ5 Q9NR82 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NR4A1 P22736 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LCK P06239 3/20 0.38
KDR P35968 3/20 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 SCHEMBL6805952 0.99 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MTORHTR1D
SCHEMBL6802170 0.88 MAPT (0.42) RAB9ANPC1SMN1; SMN2HTR1DHTR1B
SCHEMBL6806932 0.87 KMT2A (0.49) RAB9ANPC1SMN1; SMN2HTR1DHTR1B
Hydrochloric Acid SCHEMBL6810718 0.87 MAPT (0.41) RAB9ANPC1SMN1; SMN2HTR1DHTR1B
Hydrochloric Acid SCHEMBL6809944 0.86 KMT2A (0.48) RAB9ANPC1SMN1; SMN2HTR1DHTR1B
SCHEMBL6806595 0.86 PLAU (0.46) RAB9ANPC1SMN1; SMN2HTR1DHTR1B
SCHEMBL6805569 0.85 MAPT (0.58) NPC1SMN1; SMN2KCNQ3KCNQ2MAPT
Hydrochloric Acid SCHEMBL6805840 0.85 PLAU (0.45) RAB9ANPC1SMN1; SMN2HTR1DHTR1B
Hydrochloric Acid SCHEMBL7020856 0.85 MAPT (0.57) NPC1SMN1; SMN2KCNQ3KCNQ2MAPT
SCHEMBL6807053 0.84 KDR (0.46) RAB9ANPC1SMN1; SMN2KCNQ3KCNQ2

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 RAB9A 4276/4885NPC1 158/4885SMN1; SMN2 953/4885

“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.