SCHEMBL6995646

SCHEMBL6995646

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.56
MCHR1 Q99705 7/20 0.53
TMEM97 Q5BJF2 1/20 0.51
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCR3 P51677 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL6991921 0.84 MCHR1 (0.48) MCHR1CYP2D6CYP2C9TSHRSMN1; SMN2
SCHEMBL6989825 0.84 EBP (0.43) MCHR1TMEM97TSHRRAB9A
SCHEMBL6739625 0.84 POLB (0.48) MCHR1CYP2C9TSHRGAACA1
SCHEMBL6988443 0.83 EBP (0.53) MCHR1TMEM97KCNH2
SCHEMBL6733799 0.81 FAAH (0.47) DRD3MCHR1
SCHEMBL6995882 0.81 DRD3 (0.52) DRD3TMEM97CCR3
SCHEMBL6997410 0.80 EBP (0.45) MCHR1TMEM97TSHRGAAPOLB
SCHEMBL6996059 0.78 CCR3 (0.49) DRD3TMEM97CYP2C9GAALMNA
SCHEMBL7027091 0.78 MCHR1 (0.49) MCHR1TMEM97TSHRKCNH2
SCHEMBL6995153 0.78 CCR3 (0.52) MCHR1CYP2C9LMNACCR3

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 DRD3 51/4885MCHR1 1346/4885TMEM97 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.