SCHEMBL12697210

SCHEMBL12697210

Cc1ccc(N2CCC[C@H]2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB1 P11230 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNB3 Q05901 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
JAK3 P52333 2/20 0.40
CHRM4 P08173 1/20 0.40
DYRK1A Q13627 1/20 0.39
SMPD3 Q9NY59 2/20 0.39
PDK2 Q15119 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KCNH2 Q12809 1/20 0.38
AR P10275 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCOA3 Q9Y6Q9 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
SCHEMBL12697214 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL12697193 0.95 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL24548234 0.82 CHRNB2 (0.44) CHRNB2CHRNA4HRH3JAK3CHRM4
SCHEMBL7187294 0.82 ALDH1A1 (0.50) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL29739626 0.82 CHRNB2 (0.44) CHRNB2CHRNA4HRH3JAK3CHRM4
SCHEMBL24548206 0.82 CHRNB2 (0.44) CHRNB2CHRNA4HRH3JAK3CHRM4
SCHEMBL29177381 0.82 CHRNB2 (0.44) CHRNB2CHRNA4HRH3JAK3CHRM4
SCHEMBL12695040 0.80 CHRM4 (0.38) HRH3JAK3CHRM4DYRK1ASMPD3
SCHEMBL12695044 0.80 CHRM4 (0.38) HRH3JAK3CHRM4DYRK1ASMPD3
SCHEMBL24562764 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 CHRNB2 202/4885CHRNA4 142/4885CHRNB1 262/4885

“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.