SCHEMBL1661992

SCHEMBL1661992

O=C(O)[C@@H]1CCCN(C(=O)c2cc[c]c(F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM3 Q14832 1/20 0.48
ALDH1A1 P00352 5/20 0.46
EPHX2 P34913 1/20 0.45
MAPK1 P28482 1/20 0.45
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDK2 Q15119 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
RHOA P61586 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1661991 1.00 GRM3 (0.48) GRM3ALDH1A1EPHX2MAPK1GLA
SCHEMBL1662640 0.92 PDK2 (0.49) GRM3EPHX2PDK2MAPT
SCHEMBL1662642 0.92 PDK2 (0.49) GRM3EPHX2PDK2MAPT
SCHEMBL1661137 0.87 PDK2 (0.46) HSD17B10PDK2MAPT
SCHEMBL3713636 0.82 HPGD (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15904094 0.81 GRM3 (0.57) GRM3ALDH1A1MAPK1GLAHSD17B10
SCHEMBL426196 0.81 SMN1; SMN2 (0.55) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL424048 0.81 HPGD (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5031105 0.81 HSD11B1 (0.55) GRM3ALDH1A1EPHX2GLAHSD17B10
SCHEMBL191835 0.79 NPC1 (0.60) GRM3ALDH1A1EPHX2GLAHSD17B10

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 GRM3 480/4885ALDH1A1 1637/4885EPHX2 1074/4885

“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.