SCHEMBL13698459

SCHEMBL13698459

CCOc1ccccc1N1CCN(CC2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.60
DRD4 P21917 4/20 0.60
DRD3 P35462 4/20 0.60
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
TSHR P16473 2/20 0.51

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
SCHEMBL13698446 0.86 DRD2 (0.61) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL7801405 0.80 DRD2 (0.55) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL12126924 0.80 DRD4 (0.73) DRD2DRD4DRD3ALDH1A1HSD17B10
SCHEMBL11030895 0.80 ALDH1A1 (0.65) DRD2DRD4DRD3ALDH1A1HSD17B10
SCHEMBL13648739 0.79 DRD2 (0.65) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL23064593 0.78 ALDH1A1 (0.67) DRD2DRD4DRD3ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL2320933 0.78 DRD2 (0.64) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL5302301 0.77 DRD4 (0.69) DRD2DRD4DRD3ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL31741638 0.77 L3MBTL1 (0.60) RAB9AALDH1A1HSD17B10HTTSMN1; SMN2
SCHEMBL13698422 0.76 KDM4E (0.55) DRD4DRD3ALDH1A1KDM4ETSHR

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 DRD2 506/4885DRD4 1095/4885DRD3 741/4885

“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.