SCHEMBL6733588

SCHEMBL6733588

CC(C)N1CC2CC(CN(C(=O)NCCc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM1A O60341 2/20 0.42
CNR1 P21554 1/20 0.41
NAMPT P43490 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CHRNA7 P36544 1/20 0.39
GPBAR1 Q8TDU6 3/20 0.38
PRKAA2 P54646 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIA2 P42262 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL6741934 0.78 KDM1A (0.38) SLC1A2KCNH2KDM1ACNR1NAMPT
SCHEMBL6741203 0.78 KCNJ1 (0.47) KCNH2KDM1ACHRNA7ALDH1A1
SCHEMBL6739625 0.78 POLB (0.48) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6743201 0.77 NAMPT (0.44) KCNH2KDM1ANAMPTCHRNA7CHRM4
SCHEMBL6741315 0.77 KCNJ1 (0.46) KCNH2KDM1ACHRNA7ALDH1A1
SCHEMBL6736841 0.74 HTR1A (0.41) KCNH2KDM1ANAMPTCHRNA7
SCHEMBL6742864 0.72 KCNH2 (0.44) KCNH2POLBMAPTMEN1KMT2A
SCHEMBL6741876 0.72 NAMPT (0.39) KCNH2KDM1ANAMPTPOLBMAPT
SCHEMBL7948923 0.71 KCNH2 (0.52) KCNH2
SCHEMBL21169574 0.70 CNR1 (0.53) SLC1A2KCNH2CNR1POLBMAPT

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 1 patent. 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

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 SLC1A2 1938/4885KCNH2 13/4885KDM1A 4132/4885

“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.