SCHEMBL565857

SCHEMBL565857

CCCCCCCCc1ccc2c(c1)CCN2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 2/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
HSPE1 P61604 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
SCHEMBL27610237 0.98 DRD2 (0.46) DRD2DRD4SLC6A2SLC6A4HTR2A
SCHEMBL11524478 0.94 DRD2 (0.47) DRD2DRD4HTR2AHTR2CKDM4E
SCHEMBL7218486 0.92 SIGMAR1 (0.44) DRD2DRD4SLC6A2SLC6A4HTR2A
SCHEMBL20846119 0.88 SMN1; SMN2 (0.43) DRD2SLC6A2SLC6A4HTR2AHTR2C
SCHEMBL8529985 0.87 DRD2 (0.50) DRD2DRD4HTR2AHTR2CKDM4E
SCHEMBL27610259 0.86 SMN1; SMN2 (0.44) DRD2SLC6A2SLC6A4HTR2AHTR2C
SCHEMBL27091898 0.85 SLC6A2 (0.46) DRD2SLC6A2SLC6A4HTR2AHTR2C
SCHEMBL5535606 0.84 DRD2 (0.45) DRD2DRD4SLC6A4HTR2AHTR2C
SCHEMBL115559 0.83 KDM4E (0.46) DRD2SLC6A2SLC6A4HTR2AHTR2C
SCHEMBL5542958 0.83 DRD2 (0.46) DRD2DRD4SLC6A4HTR2AHTR2C

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 5 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-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO 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 DRD2 1786/4885DRD4 2767/4885SLC6A2 2600/4885

“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.