SCHEMBL13698554

SCHEMBL13698554

CCOC(=O)N1C2CCC1CC(N1CCN(c3ccc(C#N)cc3F)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.47
KCNH2 Q12809 3/20 0.47
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
CHRM1 P11229 1/20 0.43
AOC3 Q16853 1/20 0.43
USP14 P54578 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL13698551 0.81 CHRM1 (0.50) KCNH2GAAALOX12SMN1; SMN2CHRM1
SCHEMBL3453576 0.80 HRH3 (0.51) CHRM1
SCHEMBL3454291 0.79 PANK3 (0.49) SMN1; SMN2GPR119CHRM1HPGD
SCHEMBL13698552 0.78 CHRM1 (0.44) CHRM1AOC3
SCHEMBL13698497 0.78 GAA (0.72) GAAALOX12SMN1; SMN2MEN1KMT2A
SCHEMBL13698553 0.73 SMN1; SMN2 (0.46) GAAALOX12SMN1; SMN2MAPTMEN1
SCHEMBL3453688 0.73 ALDH1A1 (0.65) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL3453198 0.73 HRH3 (0.48) GPR119CHRM1
SCHEMBL5197445 0.73 MAPT (0.42) GAAALOX12SMN1; SMN2L3MBTL1MAPT
SCHEMBL3453802 0.72 KDM4E (0.51) MAPTMEN1KMT2ACHRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 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-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 SLC6A9 4392/4885KCNH2 475/4885GAA 3977/4885

“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.