SCHEMBL1661998

SCHEMBL1661998

O=C(O)CC1CN(Cc2cc[c]c(F)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.36
LTA4H P09960 3/20 0.35
S1PR1 P21453 5/20 0.35
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIN2B Q13224 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
ICAM1 P05362 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CCR3 P51677 1/20 0.33

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
SCHEMBL1661475 0.83 S1PR5 (0.51) S1PR5S1PR1SIGMAR1
SCHEMBL1661677 0.80 FUCA1 (0.37) S1PR5LTA4HALDH1A1DPP4DPP8
SCHEMBL1661473 0.78 ALDH1A1 (0.33) S1PR5ALDH1A1DPP4DPP8
SCHEMBL1661217 0.76 S1PR5 (0.53) S1PR5LTA4HS1PR1ALDH1A1CCR3
SCHEMBL1661451 0.76 S1PR5 (0.53) S1PR5LTA4HS1PR1ALDH1A1CCR3
SCHEMBL1661132 0.76 S1PR5 (0.53) S1PR5LTA4HS1PR1ALDH1A1CCR3
SCHEMBL1662291 0.75 CYP2D6 (0.34) S1PR5SIGMAR1TSHRCCR3
SCHEMBL1663604 0.74 CYP2D6 (0.34) LTA4HSIGMAR1TSHRCCR3
SCHEMBL1662326 0.71 ALDH1A1 (0.50) ALDH1A1
SCHEMBL22344571 0.71 AKR1B1 (0.48) ALDH1A1TSHR

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 2/4885LTA4H 284/4885S1PR1 1/4885

“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.