SCHEMBL1661351

SCHEMBL1661351

O=C(c1ccc2nc(-c3ccc(C4OCCCO4)cc3F)sc2c1)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.61
HSD17B14 Q9BPX1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
OPRK1 P41145 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
AGTR1 P30556 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
S1PR3 Q99500 5/20 0.40
SCD O00767 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL1662041 0.90 S1PR1 (0.49) S1PR1SMN1; SMN2NPC1MAPTOPRK1
SCHEMBL1661378 0.85 S1PR1 (0.49) S1PR1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL1661803 0.81 SMN1; SMN2 (0.46) S1PR1SMN1; SMN2NPC1MAPTHTT
SCHEMBL1661552 0.81 S1PR1 (0.42) S1PR1SMN1; SMN2S1PR3KDM4ELMNA
SCHEMBL17801761 0.79 NPC1 (0.48) S1PR1SMN1; SMN2NPC1MAPTHTT
SCHEMBL1661529 0.79 S1PR1 (0.45) S1PR1S1PR3
SCHEMBL1661945 0.78 S1PR1 (0.42) S1PR1SMN1; SMN2NPC1MAPTHTT
SCHEMBL1662011 0.78 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL1662511 0.76 APP (0.41) S1PR1SMN1; SMN2NPC1MAPTHTT
SCHEMBL1663946 0.76 S1PR1 (0.40) S1PR1S1PR3

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 5 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 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 S1PR1 1/4885HSD17B14 1450/4885SMN1; SMN2 2922/4885

“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.