SCHEMBL1876773

SCHEMBL1876773

CC1(C)OB(c2cccc3c2CCC3NC(=O)O)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 6/20 0.36
▸ TAS1R1 Q7RTX1 6/20 0.36
▸ TAS1R2 Q8TE23 6/20 0.36
▸ TRPV1 Q8NER1 5/20 0.36
▸ ACHE P22303 3/20 0.35
▸ MAOA P21397 3/20 0.35
▸ MAOB P27338 3/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ BCHE P06276 1/20 0.34

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
SCHEMBL22501502 1.00 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2TRPV1ACHE
SCHEMBL13857734 0.93 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL1886442 0.86 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2TRPV1ACHE
SCHEMBL1878236 0.84 GAA (0.36) TAS1R3TAS1R1TAS1R2TRPV1ACHE
SCHEMBL1875351 0.84 GAA (0.36) TAS1R3TAS1R1TAS1R2TRPV1ACHE
SCHEMBL1875354 0.84 GAA (0.36) TAS1R3TAS1R1TAS1R2TRPV1ACHE
SCHEMBL29771969 0.84 GAA (0.36) TAS1R3TAS1R1TAS1R2TRPV1ACHE
SCHEMBL12402632 0.83 PDPK1 (0.43) MAOAMAOB
SCHEMBL12402626 0.83 PDPK1 (0.43) MAOAMAOB
SCHEMBL13860101 0.80 TRPV1 (0.39) TAS1R3TAS1R1TAS1R2TRPV1

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 11 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
WO-2012158550-A9 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2017-10-26 — — WO 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
EP-2706999-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS Receptos, Inc. (US) 2014-03-19 — — EP disclosed
US-20140039183-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2014-02-06 — — US disclosed
WO-2012158550-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2012-11-22 — — WO disclosed
EP-2498609-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS Receptos, Inc. (US) 2012-09-19 — — EP 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 (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-20140039183-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 TAS1R3 2046/4885TAS1R1 1302/4885TAS1R2 1816/4885
US-20150252037-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 TAS1R3 2046/4885TAS1R1 1302/4885TAS1R2 1816/4885
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 TAS1R3 2018/4885TAS1R1 1288/4885TAS1R2 1803/4885

“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.

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