SCHEMBL6995973

SCHEMBL6995973

N#Cc1ccc(S(=O)(=O)CCCN2CC3CC(C2)CN(CC(=O)c2ccc4c(c2)OCCO4)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 7/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CTSZ Q9UBR2 1/20 0.42
MAPT P10636 5/20 0.41
USP2 O75604 2/20 0.41
GAA P10253 2/20 0.40
HTT P42858 3/20 0.39
ALDH3A1 P30838 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
SCHEMBL3167179 0.92 NPC1 (0.45) NPC1RAB9AALDH1A1TP53KDM4E
SCHEMBL5965625 0.88 ALDH1A1 (0.43) NPC1RAB9AALDH1A1TP53KDM4E
SCHEMBL7030302 0.84 ALDH1A1 (0.48) NPC1RAB9AALDH1A1TP53KDM4E
SCHEMBL7028393 0.84 ALDH1A1 (0.47) NPC1RAB9AALDH1A1TP53KDM4E
SCHEMBL7251183 0.80 NPC1 (0.42) NPC1RAB9AALDH1A1TP53KDM4E
SCHEMBL6737586 0.79 LMNA (0.48) NPC1RAB9AALDH1A1KDM4EPKM
SCHEMBL2967585 0.78 KCNH2 (0.49) NPC1RAB9AALDH1A1TP53KDM4E
SCHEMBL7034957 0.77 KDM4E (0.46) NPC1RAB9AALDH1A1KDM4EMAPK1
SCHEMBL7033675 0.77 HRH2 (0.37) ALDH1A1PKMGRIN1GRIN2B
SCHEMBL2956846 0.76 ALDH1A1 (0.48) NPC1RAB9AALDH1A1TP53KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E NPC1 2480/4885RAB9A 66/4885ALDH1A1 892/4885

“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.