SCHEMBL1662390

SCHEMBL1662390

O=C(O)[C@H]1CCN1Cc1cc[c]c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.40
MAOB P27338 5/20 0.39
MAOA P21397 3/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP1A2 P05177 1/20 0.38
PDCD1 Q15116 5/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1662389 1.00 CD274 (0.40) CD274MAOBMAOAIDO1TDO2
SCHEMBL1661496 1.00 CD274 (0.40) CD274MAOBMAOAIDO1TDO2
SCHEMBL1661369 0.92 CYP1A2 (0.47) CD274MAOBMAOAIDO1TDO2
SCHEMBL1664164 0.92 CYP1A2 (0.47) CD274MAOBMAOAIDO1TDO2
SCHEMBL3420897 0.92 CYP1A2 (0.47) CD274MAOBMAOAIDO1TDO2
SCHEMBL1661451 0.76 S1PR5 (0.53) CYP1A2ALDH1A1KDM4E
SCHEMBL1661132 0.76 S1PR5 (0.53) CYP1A2ALDH1A1KDM4E
SCHEMBL1661217 0.76 S1PR5 (0.53) CYP1A2ALDH1A1KDM4E
SCHEMBL1661475 0.75 S1PR5 (0.51) SIGMAR1
SCHEMBL2771071 0.75 GRM6 (0.54) CD274MAOBMAOACYP1A2PDCD1

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 CD274 1570/4885MAOB 2982/4885MAOA 3226/4885

“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.