SCHEMBL565738

SCHEMBL565738

CCCCCCCCc1ccc2c(c1)CCNC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLNR O43193 3/20 0.52
DRD2 P14416 5/20 0.50
DRD3 P35462 4/20 0.50
HTR6 P50406 3/20 0.50
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
PLAU P00749 1/20 0.50
ASIC3 Q9UHC3 1/20 0.46
TLR7 Q9NYK1 1/20 0.44
S1PR1 P21453 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 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
SCHEMBL566352 0.91 MLNR (0.61) MLNRDRD2DRD3HTR6HTR2A
SCHEMBL18774013 0.87 PLAU (0.55) MLNRDRD2DRD3HTR6HTR2A
Hydrochloric Acid SCHEMBL565965 0.86 DRD2 (0.51) DRD2DRD3HTR6HTR2AHTR2C
SCHEMBL19996369 0.82 SLC6A2 (0.50) MLNRDRD2HTR2AHTR2CS1PR1
SCHEMBL9747402 0.80 S1PR1 (0.49) MLNRDRD2HTR2AHTR2CS1PR1
SCHEMBL8776566 0.80 S1PR1 (0.49) MLNRDRD2HTR2AHTR2CS1PR1
SCHEMBL31083766 0.80 ASIC3 (0.55) DRD2DRD3PLAUASIC3
SCHEMBL1696305 0.80 ASIC3 (0.55) DRD2DRD3PLAUASIC3
SCHEMBL15312357 0.79 S1PR1 (0.48) MLNRDRD2HTR2AHTR2CS1PR1
SCHEMBL28830783 0.79 S1PR1 (0.47) MLNRDRD2HTR2AHTR2CS1PR1

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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 MLNR 1335/4885DRD2 1786/4885DRD3 2302/4885

“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.