SCHEMBL6995086

SCHEMBL6995086

N#Cc1ccc(NCCCN2CC3CC(C2)CN(Cc2ccc(F)cc2)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.49
HTR2A P28223 5/20 0.43
CHRM1 P11229 1/20 0.43
MCHR1 Q99705 1/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CACNA1B Q00975 2/20 0.39
PRKAA2 P54646 3/20 0.39
MEN1 O00255 1/20 0.39
CACNA1H O95180 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 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
SCHEMBL2966823 0.88 CCR3 (0.48) CCR3HTR2ACHRM1MCHR1DRD2
SCHEMBL5965699 0.83 CCR3 (0.48) CCR3HTR2ACHRM1MCHR1DRD2
SCHEMBL6995153 0.83 CCR3 (0.52) CCR3MCHR1PRKAA2PRKAB2PRKAG1
SCHEMBL2967662 0.83 CHRM1 (0.45) CCR3HTR2ACHRM1MCHR1DRD2
SCHEMBL6986280 0.81 HRH3 (0.43) CCR3HTR2ACHRM1MCHR1DRD2
SCHEMBL6997428 0.81 DRD2 (0.41) CCR3HTR2ADRD2DRD3CYP11B1
SCHEMBL6623202 0.80 CCR3 (0.42) CCR3HTR2ACACNA1BMEN1CACNA1H
SCHEMBL6996340 0.80 S1PR5 (0.45) DRD2DRD3PRKAA2HRH2HRH1
SCHEMBL7035035 0.79 MEN1 (0.39) CCR3HTR2ACHRM1MCHR1CACNA1B
SCHEMBL2968107 0.78 MEN1 (0.43) CCR3HTR2ACHRM1MCHR1DRD2

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 CCR3 4291/4885HTR2A 293/4885CHRM1 155/4885

“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.