SCHEMBL13698452

SCHEMBL13698452

COc1ccccc1N1CCN(C2C3CC4CC(C3)CC2C4)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.59
DRD3 P35462 5/20 0.59
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SLC18A3 Q16572 1/20 0.55
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR3A P46098 1/20 0.51
HTR6 P50406 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
DRD4 P21917 1/20 0.50

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
SCHEMBL13698524 0.81 SLC18A3 (0.51) ALDH1A1SMN1; SMN2SLC18A3LMNAADRB1
SCHEMBL13698457 0.80 SLC18A3 (0.61) DRD2DRD3ALDH1A1SLC18A3
SCHEMBL13698481 0.80 SLC18A3 (0.61) DRD2DRD3ALDH1A1SLC18A3
SCHEMBL13698567 0.80 SLC18A3 (0.61) DRD2DRD3ALDH1A1SLC18A3
SCHEMBL13698602 0.79 ALDH1A1 (0.58) DRD2DRD3ALDH1A1SLC18A3
SCHEMBL13769004 0.78 ALDH1A1 (0.58) DRD2DRD3ALDH1A1SLC18A3
SCHEMBL13698423 0.78 ALDH1A1 (0.53) DRD3ALDH1A1SMN1; SMN2CYP2C19DRD4
SCHEMBL12897657 0.76 DRD2 (0.53) DRD2ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL13768928 0.76 DRD2 (0.49) DRD2DRD3ALDH1A1SLC18A3LMNA
SCHEMBL13698591 0.75 DRD2 (0.50) DRD2DRD3ALDH1A1SMN1; SMN2SLC18A3

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 3 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

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 DRD2 506/4885DRD3 741/4885ALDH1A1 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.