SCHEMBL13698446

SCHEMBL13698446

COc1ccccc1N1CCN(CC2CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.61
HTR2C P28335 4/20 0.61
HTR2A P28223 2/20 0.61
DRD4 P21917 1/20 0.58
ADRA1A P35348 4/20 0.58
DRD3 P35462 2/20 0.58
HTR1A P08908 3/20 0.58
ADRA1B P35368 3/20 0.58
ADRA1D P25100 2/20 0.58
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57

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
SCHEMBL13648739 0.93 DRD2 (0.65) DRD2HTR2CHTR2ADRD4ADRA1A
SCHEMBL7801405 0.93 DRD2 (0.55) DRD2HTR2CHTR2ADRD4ADRA1A
Ammonia Solution, Strong SCHEMBL2320933 0.92 DRD2 (0.64) DRD2HTR2CHTR2ADRD4ADRA1A
SCHEMBL1779199 0.86 DRD2 (0.62) DRD2HTR2CHTR2ADRD4ADRA1A
SCHEMBL4915560 0.86 DRD2 (0.59) DRD2HTR2CHTR2ADRD4ADRA1A
SCHEMBL13698459 0.86 DRD2 (0.60) DRD2DRD4ADRA1ADRD3ADRA1B
SCHEMBL4915562 0.86 DRD2 (0.59) DRD2HTR2CHTR2ADRD4ADRA1A
SCHEMBL7776926 0.85 ADRA1A (0.67) DRD2ADRA1ADRD3HTR1AADRA1B
SCHEMBL1777570 0.85 DRD2 (0.55) DRD2HTR2CHTR2ADRD4ADRA1A
SCHEMBL12962316 0.84 HTR1A (0.56) DRD2HTR2CHTR2ADRD4ADRA1A

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 506/4885HTR2C 225/4885HTR2A 145/4885

“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.