SCHEMBL1661217

SCHEMBL1661217

O=C(O)C1CCN(Cc2cc[c]c(F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.53
S1PR1 P21453 3/20 0.50
S1PR4 O95977 2/20 0.50
S1PR3 Q99500 2/20 0.50
LTA4H P09960 3/20 0.44
NOTUM Q6P988 2/20 0.44
CCR3 P51677 1/20 0.43
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL1661132 1.00 S1PR5 (0.53) S1PR5S1PR1S1PR4S1PR3LTA4H
SCHEMBL1661451 1.00 S1PR5 (0.53) S1PR5S1PR1S1PR4S1PR3LTA4H
SCHEMBL1661475 0.89 S1PR5 (0.51) S1PR5S1PR1S1PR4S1PR3
SCHEMBL1894308 0.79 ALDH1A1 (0.64) S1PR5S1PR1S1PR4S1PR3CCR3
SCHEMBL1662389 0.76 CD274 (0.40) CYP1A2KDM4EALDH1A1
SCHEMBL1661998 0.76 S1PR5 (0.36) S1PR5S1PR1LTA4HCCR3ALDH1A1
SCHEMBL1662390 0.76 CD274 (0.40) CYP1A2KDM4EALDH1A1
SCHEMBL1661496 0.76 CD274 (0.40) CYP1A2KDM4EALDH1A1
SCHEMBL16301219 0.76 S1PR5 (0.77) S1PR5S1PR1S1PR4S1PR3LTA4H
SCHEMBL9037650 0.76 S1PR5 (0.77) S1PR5S1PR1S1PR4S1PR3LTA4H

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-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP claimed
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US claimed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 S1PR5 2/4885S1PR1 1/4885S1PR4 5/4885

“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.