SCHEMBL13698586

SCHEMBL13698586

CCOC(=O)N1C(C)CCC1CC(C)N1CCN(c2cc(Cl)ccc2OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TACR3 P29371 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL13698500 0.77 FFAR4 (0.51) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL13698496 0.73 DRD2 (0.51) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL13698490 0.73 SMN1; SMN2 (0.62) FFAR4MEN1KMT2AHTTALDH1A1
SCHEMBL8828619 0.70 HTR3E (0.57) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL3777366 0.69 KDM4E (0.50) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL22892259 0.68 LMNA (0.59) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL3765119 0.67 KDM4E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5240537 0.66 HTR3E (0.61) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL14612557 0.66 NPSR1 (0.36) KMT2ATP53SMN1; SMN2TSHR
SCHEMBL13227999 0.65 CHRM2 (0.37) MEN1KMT2ATSHR

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 FFAR4 173/4885HTR3E 284/4885HTR3B 190/4885

“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.