SCHEMBL6989825

SCHEMBL6989825

COc1ccc(CCN2CC3CC(CN(CCCNc4ccc(C#N)cc4)C3)C2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MCHR1 Q99705 2/20 0.43
DPP4 P27487 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 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
EBPL Q9BY08 1/20 0.39
ABCB1 P08183 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL6095711 0.92 MCHR1 (0.46) EBPSIGMAR1TMEM97MCHR1DPP4
SCHEMBL2961184 0.90 EBP (0.43) EBPSIGMAR1TMEM97MCHR1DPP4
SCHEMBL6988443 0.87 EBP (0.53) EBPSIGMAR1TMEM97MCHR1EBPL
SCHEMBL5965403 0.87 MCHR1 (0.42) EBPSIGMAR1TMEM97MCHR1DPP4
SCHEMBL5965719 0.87 SIGMAR1 (0.41) EBPSIGMAR1TMEM97MCHR1DPP4
SCHEMBL6995646 0.84 DRD3 (0.56) TMEM97MCHR1TSHRRAB9A
SCHEMBL6733799 0.83 FAAH (0.47) MCHR1ALDH1A1KDM4E
SCHEMBL7027091 0.82 MCHR1 (0.49) EBPSIGMAR1TMEM97MCHR1HTT
SCHEMBL6997410 0.82 EBP (0.45) EBPSIGMAR1TMEM97MCHR1HTT
SCHEMBL7244532 0.81 KMT2A (0.45) MCHR1DPP4ALDH1A1KDM4EABCB1

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.