SCHEMBL13698482

SCHEMBL13698482

CSc1ccccc1N1CCN(C2CCC3CCC2C3)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD4 P21917 1/20 0.38
HTR1A P08908 9/20 0.36
DRD2 P14416 3/20 0.36
HTR7 P34969 5/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL13698508 0.92 KDM4E (0.46) SLC18A3KDM4EHSD17B10DRD4HTR1A
SCHEMBL13698480 0.82 SLC18A3 (0.58) SLC18A3KDM4EKMT2A
SCHEMBL13698502 0.81 DRD2 (0.43) SLC18A3KDM4EDRD4HTR1ADRD2
SCHEMBL13698481 0.79 SLC18A3 (0.61) SLC18A3DRD2
SCHEMBL13698567 0.79 SLC18A3 (0.61) SLC18A3DRD2
SCHEMBL3980241 0.74 SLC18A3 (0.58) SLC18A3KDM4EPKMKMT2A
SCHEMBL13698499 0.72 KDM4E (0.50) SLC18A3KDM4EDRD4HTR1ADRD2
SCHEMBL13698501 0.72 KDM4E (0.50) SLC18A3KDM4EDRD4HTR1ADRD2
SCHEMBL13698483 0.72 SLC18A3 (0.60) SLC18A3KDM4EHSD17B10KMT2A
SCHEMBL13698458 0.71 KDM4E (0.49) KDM4EHSD17B10PKMKMT2A

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 SLC18A3 187/4885KDM4E 2199/4885HSD17B10 3732/4885

“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.