SCHEMBL3238744

SCHEMBL3238744

NC1CN(C2CCN(CC3CC3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.38
OPRM1 P35372 3/20 0.36
OPRL1 P41146 3/20 0.36
SIGMAR1 Q99720 2/20 0.35
OPRK1 P41145 2/20 0.34
OPRD1 P41143 1/20 0.34
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN11A Q9UI33 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
Hydrochloric Acid SCHEMBL3230095 0.98 CHRM5 (0.38) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL25856478 0.87 OPRL1 (0.39) ACHEOPRM1OPRL1OPRK1OPRD1
SCHEMBL13247682 0.84 CHRM5 (0.39) CHRM5ADRA2CACHEOPRM1OPRL1
Hydrochloric Acid SCHEMBL3262907 0.82 GNAI3 (0.38) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL8100117 0.78 CHRM5 (0.48) CHRM5ADRA2CACHESIGMAR1
SCHEMBL2673448 0.78 CHRM5 (0.48) CHRM5ADRA2CACHESIGMAR1
SCHEMBL24480610 0.77 ACHE (0.53) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL3440437 0.77 CHRM5 (0.54) CHRM5ADRA2CACHEOPRM1OPRL1
Hydrochloric Acid SCHEMBL3539492 0.76 CHRM5 (0.46) CHRM5ADRA2CACHESIGMAR1
Hydrochloric Acid SCHEMBL2674762 0.76 CHRM5 (0.46) CHRM5ADRA2CACHESIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075973-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-25 US disclosed
WO-2010025073-A1 DIHYDROIMIDAZO [ 1, 5-F] PTERIDINES AS POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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-20100075973-A1 POLO-LIKE KINASE INHIBITORS PLK2, PLK4, PLK1 CHRM5 4868/4885ADRA2C 4005/4885ACHE 3976/4885

“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.