SCHEMBL1876704

SCHEMBL1876704

CC(C)(C)OC(=O)N[C@@H]1CCc2c(C#N)cccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.42
KCNA3 P22001 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
CCR2 P41597 2/20 0.40
CTSK P43235 2/20 0.39
MAOB P27338 2/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
KDM1A O60341 1/20 0.37

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
SCHEMBL1876702 1.00 S1PR1 (0.42) S1PR1KCNA3TRPV1CCR2CTSK
SCHEMBL29530612 1.00 S1PR1 (0.42) S1PR1KCNA3TRPV1CCR2CTSK
SCHEMBL2195080 1.00 S1PR1 (0.42) S1PR1KCNA3TRPV1CCR2CTSK
SCHEMBL30492178 1.00 S1PR1 (0.42) S1PR1KCNA3TRPV1CCR2CTSK
SCHEMBL29730366 1.00 S1PR1 (0.42) S1PR1KCNA3TRPV1CCR2CTSK
SCHEMBL12670597 0.93 TAS1R3 (0.42) KCNA3
SCHEMBL12434132 0.93 TAS1R3 (0.42) KCNA3
SCHEMBL4082429 0.87 S1PR1 (0.40) S1PR1KCNA3TRPV1CTSKGAA
SCHEMBL5429659 0.87 S1PR1 (0.40) S1PR1KCNA3TRPV1CTSKGAA
SCHEMBL24619628 0.85 KDM4E (0.41) S1PR1KCNA3TRPV1MAOBGAA

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3518922-B1 COMPOUNDS AND METHODS FOR TREATING LUPUS RECEPTOS LLC (US) 2026-02-11 EP disclosed
EP-2498610-B2 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC (US) 2024-06-19 EP disclosed
US-11278526-B2 Compounds and methods for treating lupus RECEPTOS LLC (US) 2022-03-22 US disclosed
EP-3406142-B1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SARL (CH) 2020-12-23 EP disclosed
EP-3406142-B1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SARL (CH) 2020-12-23 EP disclosed
US-20190224172-A1 COMPOUNDS AND METHODS FOR TREATING LUPUS RECEPTOS LLC 2019-07-25 US disclosed
US-20190224172-A1 COMPOUNDS AND METHODS FOR TREATING LUPUS RECEPTOS LLC 2019-07-25 US disclosed
US-10239846-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis CELGENE INTERNATIONAL II SÀRL (CH) 2019-03-26 US disclosed
US-10239846-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis CELGENE INTERNATIONAL II SÀRL (CH) 2019-03-26 US disclosed
EP-3406142-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS Celgene International II Sàrl (CH) 2018-11-28 EP disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 US disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 US disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 US disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 US disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 US disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 US disclosed
WO-2011060389-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 WO disclosed
WO-2011060389-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 WO disclosed
WO-2011060392-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 WO disclosed
WO-2011060392-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS 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 (5 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-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 S1PR1 1/4885KCNA3 1980/4885TRPV1 338/4885
US-11278526-B2 Compounds and methods for treating lupus S1PR1, S1PR2, SSB S1PR1 1/4885KCNA3 2885/4885TRPV1 1776/4885
US-20190224172-A1 COMPOUNDS AND METHODS FOR TREATING LUPUS S1PR1, S1PR2, SSB S1PR1 1/4885KCNA3 2885/4885TRPV1 1776/4885
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 S1PR1 1/4885KCNA3 1993/4885TRPV1 295/4885
US-10239846-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis S1PR1, S1PR3, S1PR2 S1PR1 1/4885KCNA3 2004/4885TRPV1 296/4885

“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.