SCHEMBL177341

SCHEMBL177341

CCCCCCCCc1ccc(N2CCN(CCC(=O)OCC)C2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.76
CYP1A1 P04798 6/20 0.43
HDAC1 Q13547 1/20 0.43
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL177078 0.86 S1PR1 (1.00) S1PR1CYP1A1HDAC1FAAHMGLL
SCHEMBL8558181 0.83 S1PR1 (0.50) S1PR1CYP1A1HDAC1DRD2DRD3
SCHEMBL8417017 0.81 DRD2 (0.52) S1PR1HDAC1DRD2DRD3
SCHEMBL28095483 0.80 S1PR1 (0.72) S1PR1CYP1A1HDAC1FAAHMGLL
SCHEMBL8417146 0.80 S1PR1 (0.83) S1PR1CYP1A1HDAC1GRIN1GRIN2B
SCHEMBL12038114 0.79 S1PR1 (0.78) S1PR1HDAC1FAAHMGLL
SCHEMBL7387416 0.76 S1PR1 (0.47) S1PR1HDAC1CYP4F2CYP4A11DRD2
SCHEMBL10929511 0.75 CYP4Z1 (0.60) FAAHTHRATHRBCYP4F2CYP4A11
Hydrochloric Acid SCHEMBL7393912 0.75 S1PR1 (0.46) S1PR1HDAC1CYP4F2CYP4A11DRD2
SCHEMBL7390478 0.75 CYP4F2 (0.52) S1PR1CYP4F2CYP4A11

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 S1PR1 1/4885CYP1A1 3248/4885HDAC1 2099/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885CYP1A1 3248/4885HDAC1 2099/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885CYP1A1 4474/4885HDAC1 2219/4885

“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.