SCHEMBL6997410

SCHEMBL6997410

COc1ccc(CCN2CC3CC(CN(CCCS(=O)(=O)c4ccc(C#N)cc4)C3)C2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
MCHR1 Q99705 1/20 0.42
EBPL Q9BY08 1/20 0.40
ALDH1A1 P00352 4/20 0.40
ABCB1 P08183 1/20 0.40
PTGER1 P34995 1/20 0.40
POLB P06746 1/20 0.39
GRK2 P25098 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 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
SCHEMBL6988443 0.88 EBP (0.53) EBPSIGMAR1TMEM97MCHR1EBPL
SCHEMBL6989825 0.82 EBP (0.43) EBPSIGMAR1TMEM97MCHR1EBPL
SCHEMBL7027091 0.81 MCHR1 (0.49) EBPSIGMAR1TMEM97MCHR1ALDH1A1
SCHEMBL6995646 0.80 DRD3 (0.56) TMEM97MCHR1POLBTSHRGAA
SCHEMBL6991921 0.80 MCHR1 (0.48) MCHR1ALDH1A1USP2TSHR
SCHEMBL6733799 0.79 FAAH (0.47) MCHR1ALDH1A1KDM4E
SCHEMBL7028285 0.78 CYP19A1 (0.38) ALDH1A1MAPT
SCHEMBL7028310 0.78 MCHR1 (0.43) EBPSIGMAR1TMEM97MCHR1EBPL
SCHEMBL7033710 0.78 HRH2 (0.38)
SCHEMBL6739625 0.78 POLB (0.48) MCHR1ALDH1A1PTGER1POLBTSHR

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 EBP 655/4885SIGMAR1 294/4885TMEM97 722/4885

“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.