SCHEMBL970575

SCHEMBL970575

CCCCCCC(=O)Nc1c(C)cc(N2CCOCC2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 7/20 0.53
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 6/20 0.53
KDM4E B2RXH2 5/20 0.53
GAA P10253 5/20 0.53
HPGD P15428 5/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 3/20 0.50
GLA P06280 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CNR1 P21554 2/20 0.50
SHMT2 P34897 1/20 0.50
GBA1 P04062 1/20 0.45
CNR2 P34972 1/20 0.44

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
SCHEMBL969831 1.00 RAB9A (0.53) RAB9ANPC1ALDH1A1HSD17B10KDM4E
SCHEMBL969756 0.99 RAB9A (0.54) RAB9ANPC1ALDH1A1HSD17B10KDM4E
SCHEMBL972064 0.86 KDM4E (0.48) RAB9ANPC1ALDH1A1HSD17B10KDM4E
SCHEMBL1509768 0.85 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1HSD17B10KDM4E
SCHEMBL970079 0.83 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1HSD17B10KDM4E
SCHEMBL2435843 0.83 CNR1 (0.60) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL2436162 0.83 CNR1 (0.60) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL2432797 0.82 CNR1 (0.58) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL13316848 0.82 SMN1; SMN2 (0.54) RAB9ANPC1ALDH1A1HSD17B10KDM4E
SCHEMBL30824695 0.81 KCNQ2 (0.56) RAB9ANPC1ALDH1A1HSD17B10KDM4E

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-2298766-B1 Pharmaceutical formulations comrpising a substituted pyridine derivative LUNDBECK & CO AS H (DK) 2013-09-18 EP claimed
US-8299071-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US claimed
EP-2298766-A1 Substituted pyridine derivatives H. Lundbeck A/S (DK) 2011-03-23 EP claimed
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-01-06 US claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-2298766-A1 Substituted pyridine derivatives H. Lundbeck A/S (DK) 2011-03-23 EP disclosed
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-01-06 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-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES KCNQ2, KCNQ1, KCNQ5 RAB9A 2579/4885NPC1 991/4885ALDH1A1 2209/4885

“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.