SCHEMBL1880752

SCHEMBL1880752

CC(C)(C)[Si](C)(C)O[C@@H]1CCc2c(Br)cccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.35
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
ADRA2A P08913 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
ADRA1A P35348 2/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1B P35368 1/20 0.30
UCHL1 P09936 1/20 0.30

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
SCHEMBL2166337 1.00 GID4 (0.35) GID4DRD2DRD1DRD4DRD5
SCHEMBL30113715 1.00 GID4 (0.35) GID4DRD2DRD1DRD4DRD5
SCHEMBL1873780 1.00 GID4 (0.35) GID4DRD2DRD1DRD4DRD5
SCHEMBL9277476 0.84 FFAR1 (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9277471 0.84 FFAR1 (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8846318 0.83 ADRA2A (0.30) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9278190 0.83 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9277540 0.83 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL29944717 0.81
SCHEMBL9280511 0.81 DRD2 (0.37) DRD2DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2706999-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2019-08-28 EP disclosed
EP-2498609-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2018-04-18 EP disclosed
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2015-10-22 US disclosed
US-20150252037-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2015-09-10 US disclosed
US-20140039183-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2014-02-06 US disclosed
US-8507538-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators RECEPTOS, INC. (US) 2013-08-13 US disclosed
EP-2498609-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS Receptos, Inc. (US) 2012-09-19 EP disclosed
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2011-07-28 US disclosed
WO-2011060391-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2011-05-19 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 (4 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-20140039183-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 GID4 1510/4885DRD2 1843/4885DRD1 2503/4885
US-20150252037-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 GID4 1510/4885DRD2 1843/4885DRD1 2503/4885
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 GID4 1514/4885DRD2 1847/4885DRD1 2500/4885
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 GID4 1514/4885DRD2 1847/4885DRD1 2500/4885

“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.