SCHEMBL6741934

SCHEMBL6741934

CCCC(=O)CCCN1CC2CC(C1)CN(C(=O)NCCc1ccc(C#N)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
HRH1 P35367 3/20 0.38
HTR2A P28223 2/20 0.38
OPRM1 P35372 2/20 0.38
HRH2 P25021 2/20 0.38
CACNA1F O60840 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD2 P14416 1/20 0.38
TACR2 P21452 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
ADRA1D P25100 1/20 0.38
TACR1 P25103 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 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
SCHEMBL6743201 0.87 NAMPT (0.44) KDM1AHRH1HTR2AOPRM1HRH2
SCHEMBL6736841 0.82 HTR1A (0.41) KDM1AHRH1HTR2AOPRM1HRH2
SCHEMBL6738618 0.82 HRH1 (0.41) KDM1AHRH1HTR2AHRH2DRD2
SCHEMBL6741203 0.82 KCNJ1 (0.47) KDM1ADRD2DRD3KCNH2CHRNA7
SCHEMBL7027153 0.81 CCR3 (0.48) HRH1HRH2DRD2DRD3SIGMAR1
SCHEMBL6741876 0.81 NAMPT (0.39) KDM1AHRH1HTR2AOPRM1NAMPT
SCHEMBL6996460 0.79 HTR1A (0.41) KDM1AHRH1HTR2AOPRM1HRH2
SCHEMBL6739625 0.79 POLB (0.48) POLBCYP2C9
SCHEMBL6733588 0.78 SLC1A2 (0.44) KDM1ANAMPTKCNH2SLC1A2CHRNA7
SCHEMBL7106389 0.77 HRH2 (0.47) HRH1HRH2

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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D KDM1A 4132/4885HRH1 184/4885HTR2A 537/4885

“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.