SCHEMBL12697197

SCHEMBL12697197

CCC1COCCN1c1ccc(C)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.43
PIK3CA P42336 5/20 0.43
PIK3R1 P27986 3/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38
ELANE P08246 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23107109 0.85 CHRNB2 (0.38) MTORPIK3CACHRNB2CHRNA4ELANE
SCHEMBL12695047 0.83 MTOR (0.43) MTORPIK3CAPIK3R1AURKAPDPK1
SCHEMBL23103865 0.81 PIK3C3 (0.46) MTORPIK3CAPIK3R1CHRNB2CHRNA4
SCHEMBL14930378 0.78 CHRNB2 (0.41) MTORPIK3CACHRNB2CHRNA4ELANE
SCHEMBL24859511 0.73 MTOR (0.34) MTORPIK3CAPIK3R1KDM4EMEN1
SCHEMBL23102829 0.73 MTOR (0.34) MTORPIK3CAPIK3R1KDM4EMEN1
SCHEMBL23102830 0.73 MTOR (0.34) MTORPIK3CAPIK3R1KDM4EMEN1
SCHEMBL25563482 0.71 MTOR (0.47) MTORPIK3CAPIK3R1AURKAPDPK1
SCHEMBL25563491 0.71 MTOR (0.47) MTORPIK3CAPIK3R1AURKAPDPK1
SCHEMBL23104159 0.71 MTOR (0.41) MTORPIK3CAPIK3R1CHRNB2CHRNA4

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 MTOR 1175/4885PIK3CA 534/4885PIK3R1 1269/4885

“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.