SCHEMBL13698477

SCHEMBL13698477

COc1ccc(Cl)cc1N1CCN(C2C[C@@H]3CC[C@H]2C3)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
ALDH1A1 P00352 2/20 0.46
AXL P30530 1/20 0.45
KDR P35968 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
SLC18A3 Q16572 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR6 P50406 2/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC1 Q13547 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
SCHEMBL13698566 1.00 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698486 1.00 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698479 1.00 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698485 0.93 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698526 0.87 KMT2A (0.46) DRD2ALDH1A1AXLKDRSLC18A3
SCHEMBL13698504 0.86 ALDH1A1 (0.46) DRD2ALDH1A1AXLKDRSLC18A3
SCHEMBL13698511 0.84 NPSR1 (0.51) ALDH1A1SLC18A3
SCHEMBL13698478 0.84 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698610 0.83 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13698517 0.83 SLC2A1 (0.43) DRD2ALDH1A1AXLKDRSLC18A3

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.