SCHEMBL13698500

SCHEMBL13698500

CCOC(=O)N1C2CCC1CC(N1CCN(c3cc(Cl)ccc3OC)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.51
HTT P42858 1/20 0.46
CHRM1 P11229 4/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
DRD2 P14416 5/20 0.45
ADRA1D P25100 3/20 0.45
ADRA1A P35348 3/20 0.45
ADRA1B P35368 3/20 0.45
DRD3 P35462 1/20 0.45
HTR6 P50406 1/20 0.45
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL13698496 0.87 DRD2 (0.51) FFAR4HTTCHRM1HTR3EHTR3B
SCHEMBL13698490 0.85 SMN1; SMN2 (0.62) FFAR4HTTCHRM1GAAALOX12
SCHEMBL12897655 0.84 HTT (0.46) HTTCHRM1DRD2ADRA1DADRA1A
SCHEMBL13698553 0.83 SMN1; SMN2 (0.46) HTTCHRM1DRD2ADRA1DADRA1A
SCHEMBL12897122 0.81 HTT (0.46) FFAR4HTTCHRM1SMN1; SMN2
SCHEMBL12897628 0.81 HTT (0.43) FFAR4HTTCHRM1SMN1; SMN2
SCHEMBL13698478 0.78 HTR3E (0.59) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL13698497 0.78 GAA (0.72) FFAR4CHRM1GAAALOX12SMN1; SMN2
SCHEMBL13698586 0.77 FFAR4 (0.44) FFAR4HTTHTR3EHTR3BHTR3A
SCHEMBL12896413 0.76 CHRM1 (0.48) CHRM1GAAALOX12SMN1; SMN2MEN1

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 FFAR4 173/4885HTT 3346/4885CHRM1 6/4885

“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.