SCHEMBL13698462

SCHEMBL13698462

Cc1ccc(C)c(N2CCN(C3CCC(C)C3)CC2)c1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
ALOX12 P18054 1/20 0.54
ALDH1A1 P00352 3/20 0.47
TSHR P16473 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.41

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
SCHEMBL13698468 0.92 ALDH1A1 (0.57) SLC18A3SMN1; SMN2GAAALOX12ALDH1A1
SCHEMBL13698466 0.91 SMN1; SMN2 (0.60) SLC18A3SMN1; SMN2GAAALOX12ALDH1A1
SCHEMBL13698488 0.81 SLC18A3 (0.57) SLC18A3SMN1; SMN2GAAALOX12ALDH1A1
SCHEMBL13698463 0.81 SLC18A3 (0.68) SLC18A3SMN1; SMN2GAAALOX12ALDH1A1
SCHEMBL13764629 0.81 SLC18A3 (0.68) SLC18A3SMN1; SMN2GAAALOX12ALDH1A1
SCHEMBL13698521 0.81 SLC18A3 (0.68) SLC18A3SMN1; SMN2GAAALOX12ALDH1A1
SCHEMBL26706269 0.79 KMT2A (0.54) ALDH1A1TSHRMEN1KMT2A
SCHEMBL18550791 0.79 KMT2A (0.54) ALDH1A1TSHRMEN1KMT2A
SCHEMBL13698474 0.79 SMN1; SMN2 (0.62) SLC18A3SMN1; SMN2GAAALOX12ALDH1A1
SCHEMBL27703196 0.78 SLC18A3 (0.55) SLC18A3SMN1; SMN2GAAALOX12ALDH1A1

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 SLC18A3 187/4885SMN1; SMN2 4374/4885GAA 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.