SCHEMBL13698602

SCHEMBL13698602

C=C1CC2CCCC(C1)C2N1CCN(c2ccccc2OC)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
SLC18A3 Q16572 1/20 0.57
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.51
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL13769004 0.81 ALDH1A1 (0.58) ALDH1A1SLC18A3DRD2DRD3
SCHEMBL13698452 0.79 DRD2 (0.59) ALDH1A1SLC18A3DRD2DRD3
SCHEMBL13698537 0.73 SLC18A3 (0.65) ALDH1A1SLC18A3DRD2DRD3KDM4E
SCHEMBL13698556 0.73 HTR3E (0.57) ALDH1A1SLC18A3DRD2KDM4E
SCHEMBL2544985 0.72 SLC18A3 (0.54) ALDH1A1SLC18A3DRD2DRD3
SCHEMBL3165674 0.72 DRD2 (0.72) ALDH1A1DRD2DRD3
SCHEMBL30407688 0.72 DRD2 (0.72) ALDH1A1DRD2DRD3KDM4E
SCHEMBL27645131 0.71 DRD2 (0.62) ALDH1A1SLC18A3DRD2DRD3
SCHEMBL1374764 0.71 DRD2 (0.71) ALDH1A1DRD2DRD3KDM4E
SCHEMBL14529139 0.71 ALDH1A1 (0.64) ALDH1A1SLC18A3DRD2DRD3KDM4E

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 1 patent. 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

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 ALDH1A1 2270/4885SLC18A3 187/4885DRD2 506/4885

“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.