SCHEMBL13698556

SCHEMBL13698556

COc1ccc(Cl)cc1N1CCN(C2C3CCCC2CCC3)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
ALDH1A1 P00352 5/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
FFAR4 Q5NUL3 1/20 0.47
HTR6 P50406 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
TACR3 P29371 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
SLC18A3 Q16572 1/20 0.44
CYP2C9 P11712 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL13698509 0.83 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698506 0.83 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698505 0.80 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698610 0.80 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698478 0.78 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698479 0.78 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698486 0.78 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698566 0.78 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698477 0.78 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698485 0.78 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 284/4885HTR3B 190/4885HTR3A 176/4885

“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.