SCHEMBL566352

SCHEMBL566352

CCCCCCCCc1ccc2c(c1)CCNCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 4/20 0.61
HTR2C P28335 6/20 0.54
HTR2A P28223 5/20 0.54
DRD2 P14416 3/20 0.54
DRD3 P35462 2/20 0.54
HTR6 P50406 2/20 0.54
S1PR1 P21453 1/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
HTR2B P41595 2/20 0.43
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43

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
SCHEMBL565738 0.91 MLNR (0.52) MLNRHTR2CHTR2ADRD2DRD3
SCHEMBL19996369 0.88 SLC6A2 (0.50) MLNRHTR2CHTR2ADRD2S1PR1
SCHEMBL8776566 0.86 S1PR1 (0.49) MLNRHTR2CHTR2ADRD2S1PR1
SCHEMBL9747402 0.86 S1PR1 (0.49) MLNRHTR2CHTR2ADRD2S1PR1
SCHEMBL15312357 0.85 S1PR1 (0.48) MLNRHTR2CHTR2ADRD2S1PR1
SCHEMBL28830783 0.84 S1PR1 (0.47) MLNRHTR2CHTR2ADRD2S1PR1
SCHEMBL7122292 0.83 S1PR1 (0.46) MLNRHTR2CHTR2ADRD2S1PR1
SCHEMBL20846119 0.79 SMN1; SMN2 (0.43) MLNRHTR2CHTR2ADRD2S1PR1
SCHEMBL7208510 0.79 HTR2A (0.46) MLNRHTR2CHTR2ADRD2S1PR1
SCHEMBL565857 0.79 DRD2 (0.45) MLNRHTR2CHTR2ADRD2S1PR1

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 1335/4885HTR2C 1454/4885HTR2A 765/4885

“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.