SCHEMBL1662640

SCHEMBL1662640

O=C(O)C1CCN(C(=O)c2cc[c]c(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.49
NOTUM Q6P988 4/20 0.45
MAPT P10636 1/20 0.45
HSD11B1 P28845 5/20 0.42
GAA P10253 1/20 0.42
MGLL Q99685 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
EPHX2 P34913 1/20 0.40
GRM3 Q14832 1/20 0.40

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
SCHEMBL1662642 1.00 PDK2 (0.49) PDK2NOTUMMAPTHSD11B1GAA
SCHEMBL1661992 0.92 GRM3 (0.48) PDK2MAPTEPHX2GRM3
SCHEMBL1661991 0.92 GRM3 (0.48) PDK2MAPTEPHX2GRM3
SCHEMBL1661137 0.89 PDK2 (0.46) PDK2NOTUMMAPT
SCHEMBL3713636 0.79 HPGD (0.55) GAANPC1RAB9A
SCHEMBL424048 0.77 HPGD (0.52)
SCHEMBL426196 0.77 SMN1; SMN2 (0.55)
SCHEMBL16695294 0.75 ACHE (0.60) PDK2NOTUMMAPTHSD11B1GAA
SCHEMBL425630 0.73 PKM (0.54) EPHX2
SCHEMBL1661217 0.73 S1PR5 (0.53) NOTUM

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 PDK2 2910/4885NOTUM 2646/4885MAPT 3970/4885

“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.