SCHEMBL13698498

SCHEMBL13698498

COc1ccc(F)cc1N1CCN(C2CCC3CCC2C3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.46
HTR1A P08908 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SLC2A1 P11166 2/20 0.41
SLC2A3 P11169 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SLC2A2 P11168 1/20 0.40
MCOLN2 Q8IZK6 3/20 0.40
MCOLN3 Q8TDD5 3/20 0.40
MCOLN1 Q9GZU1 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13698504 0.93 ALDH1A1 (0.46) SLC18A3HTR1AALDH1A1SLC2A1SLC2A3
SCHEMBL13698485 0.86 HTR3E (0.52) SLC18A3ALDH1A1DRD2ADRA1DADRA1A
SCHEMBL13698567 0.85 SLC18A3 (0.61) SLC18A3ALDH1A1DRD2DRD3MCOLN2
SCHEMBL13698481 0.85 SLC18A3 (0.61) SLC18A3ALDH1A1DRD2DRD3MCOLN2
SCHEMBL12898025 0.81 CHRM4 (0.44) DRD2ADRA1DADRA1AADRA1BMCOLN2
SCHEMBL12897670 0.81 CHRM4 (0.44) DRD2ADRA1DADRA1AADRA1BMCOLN2
SCHEMBL13698526 0.80 KMT2A (0.46) SLC18A3HTR1AALDH1A1MEN1KMT2A
SCHEMBL13698566 0.79 HTR3E (0.52) SLC18A3ALDH1A1DRD2ADRA1DADRA1A
SCHEMBL13698477 0.79 HTR3E (0.52) SLC18A3ALDH1A1DRD2ADRA1DADRA1A
SCHEMBL13698479 0.79 HTR3E (0.52) SLC18A3ALDH1A1DRD2ADRA1DADRA1A

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 187/4885HTR1A 236/4885ALDH1A1 2270/4885

“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.