SCHEMBL12697193

SCHEMBL12697193

Cc1ccc(N2CCCCC2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRM4 P08173 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
JAK3 P52333 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TSHR P16473 1/20 0.41
XBP1 P17861 1/20 0.41
CHRNB1 P11230 1/20 0.40
CHRNB4 P30926 1/20 0.40

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
SCHEMBL12697210 0.95 CHRNB2 (0.46) CHRNB2CHRNA4CHRM4MAOAMAOB
SCHEMBL12697214 0.95 CHRNB2 (0.46) CHRNB2CHRNA4CHRM4MAOAMAOB
SCHEMBL18779480 0.83 CHRM4 (0.46) CHRNB2CHRNA4CHRM4MAOAMAOB
SCHEMBL12695039 0.80 CHRM4 (0.42) CHRM4MAOAMAOBSMN1; SMN2LMNA
SCHEMBL231930 0.80 KDM4E (0.46) CHRM4SMN1; SMN2LMNAHTTNCOA3
SCHEMBL23107287 0.79 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL28806424 0.79 CHRM4 (0.43) CHRM4MAOAMAOBSMN1; SMN2LMNA
SCHEMBL23107285 0.79 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL24562764 0.78 CHRNB2 (0.41) CHRNB2CHRNA4ACHEHRH3CHRNB1
SCHEMBL26326850 0.78 MAOA (0.51) CHRM4MAOAMAOBSMN1; SMN2LMNA

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 142/4885CHRM4 315/4885

“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.