SCHEMBL7030302

SCHEMBL7030302

N#Cc1ccc(C(=O)NCCCN2CC3CC(C2)CN(CC(=O)c2ccc4c(c2)OCCO4)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
DRD3 P35462 5/20 0.48
DRD2 P14416 4/20 0.48
ALOX15 P16050 1/20 0.46
HPGD P15428 1/20 0.46
CD274 Q9NZQ7 2/20 0.44
CCR3 P51677 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CTSZ Q9UBR2 1/20 0.42
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
VNN1 O95497 1/20 0.41
KLF5 Q13887 1/20 0.40

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
SCHEMBL7028393 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2DRD3DRD2ALOX15
SCHEMBL6995973 0.84 NPC1 (0.44) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2956846 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DRD3DRD2ALOX15
SCHEMBL6737586 0.80 LMNA (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7033543 0.79 CCR3 (0.48) ALDH1A1SMN1; SMN2DRD3DRD2CD274
SCHEMBL2967585 0.78 KCNH2 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7028488 0.77 CD274 (0.61) ALDH1A1DRD3CD274CCR3MKNK1
SCHEMBL7034957 0.77 KDM4E (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5965850 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL6996059 0.77 CCR3 (0.49) ALDH1A1SMN1; SMN2DRD3DRD2CD274

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 ALDH1A1 892/4885SMN1; SMN2 3890/4885DRD3 51/4885

“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.