SCHEMBL13698496

SCHEMBL13698496

CCOC(=O)N1C2CCC1CC(CN1CCN(c3cc(Cl)ccc3OC)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
FFAR4 Q5NUL3 1/20 0.51
CHRM1 P11229 3/20 0.46
LMNA P02545 2/20 0.46
CHRM4 P08173 2/20 0.46
KCNH2 Q12809 1/20 0.46
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
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
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR3 P29371 1/20 0.42
HTT P42858 1/20 0.42

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 0.87 FFAR4 (0.51) DRD2DRD4FFAR4CHRM1LMNA
SCHEMBL13698503 0.86 CHRM4 (0.55) DRD2DRD4CHRM1CHRM4KCNH2
SCHEMBL13698490 0.77 SMN1; SMN2 (0.62) FFAR4CHRM1CHRM4MEN1KMT2A
SCHEMBL13698528 0.77 DRD2 (0.59) DRD2DRD4FFAR4LMNAADRA1D
SCHEMBL12896464 0.74 HTR7 (0.53) DRD2DRD4CHRM1CHRM4KCNH2
SCHEMBL12897655 0.73 HTT (0.46) DRD2CHRM1CHRM4ADRA1DADRA1A
SCHEMBL13698586 0.73 FFAR4 (0.44) DRD2DRD4FFAR4LMNAADRA1D
SCHEMBL13698553 0.71 SMN1; SMN2 (0.46) DRD2CHRM1ADRA1DADRA1AADRA1B
SCHEMBL12897122 0.70 HTT (0.46) FFAR4CHRM1HTT
SCHEMBL12897628 0.70 HTT (0.43) FFAR4CHRM1CHRM4HTT

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 2 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-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 506/4885DRD4 1095/4885FFAR4 173/4885

“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.