SCHEMBL6741876

SCHEMBL6741876

CCCNC(=O)CNC(=O)N1CC2CC(CN(CCCCc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
CHRNA7 P36544 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CCR3 P51677 1/20 0.35
KDM1A O60341 3/20 0.35
MGLL Q99685 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
GRM2 Q14416 1/20 0.35

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 0.93 NAMPT (0.44) NAMPTHTR1ADRD4HTR2AHRH1
SCHEMBL6736841 0.88 HTR1A (0.41) NAMPTHTR1ADRD4HTR2AHRH1
SCHEMBL6734011 0.87 NAMPT (0.37) NAMPTHRH1CHRNA7CCR3MGLL
SCHEMBL6741203 0.81 KCNJ1 (0.47) CHRNA7KCNJ1KCNH2KDM1A
SCHEMBL6741934 0.81 KDM1A (0.38) NAMPTHTR1ADRD4HTR2AHRH1
SCHEMBL6996460 0.81 HTR1A (0.41) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7957186 0.79 HTR1A (0.47) NAMPTHTR1ADRD4HTR2AHRH1
SCHEMBL6739623 0.79 KCNH2 (0.48) KCNH2POLBKDM4E
SCHEMBL6735514 0.79 KCNH2 (0.48) KCNH2POLBKDM4E
SCHEMBL6739080 0.74 FAAH (0.40) TSHRKDM1AKDM4E

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 NAMPT 4702/4885HTR1A 370/4885DRD4 42/4885

“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.