SCHEMBL13698474

SCHEMBL13698474

CCC1CCC(N2CCN(c3cc(C)ccc3C)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 1/20 0.62
ALOX12 P18054 1/20 0.62
SLC18A3 Q16572 1/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 3/20 0.50
FFAR4 Q5NUL3 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 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
SCHEMBL13698466 0.84 SMN1; SMN2 (0.60) SMN1; SMN2GAAALOX12SLC18A3MEN1
SCHEMBL13698521 0.82 SLC18A3 (0.68) SMN1; SMN2GAAALOX12SLC18A3MEN1
SCHEMBL13764629 0.82 SLC18A3 (0.68) SMN1; SMN2GAAALOX12SLC18A3MEN1
SCHEMBL13698463 0.82 SLC18A3 (0.68) SMN1; SMN2GAAALOX12SLC18A3MEN1
SCHEMBL13698462 0.79 SLC18A3 (0.56) SMN1; SMN2GAAALOX12SLC18A3MEN1
SCHEMBL24773694 0.78 SMN1; SMN2 (0.60) SMN1; SMN2GAAALOX12SLC18A3MEN1
SCHEMBL13698488 0.77 SLC18A3 (0.57) SMN1; SMN2GAAALOX12SLC18A3MEN1
SCHEMBL13698465 0.77 SMN1; SMN2 (1.00) SMN1; SMN2GAAALOX12SLC18A3MEN1
SCHEMBL13698497 0.75 GAA (0.72) SMN1; SMN2GAAALOX12SLC18A3MEN1
SCHEMBL3973599 0.74 KMT2A (0.50) GAAMEN1KMT2AALDH1A1MAPT

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 SMN1; SMN2 4374/4885GAA 3977/4885ALOX12 2493/4885

“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.