SCHEMBL1661165

SCHEMBL1661165

O=C(O)c1ccn(Cc2cc[c]c(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.41
CACNA1G O43497 9/20 0.40
CACNA1I Q9P0X4 9/20 0.40
CACNA1H O95180 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CACNA1C Q13936 1/20 0.38
HDAC1 Q13547 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.35
FAAH O00519 1/20 0.34

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
SCHEMBL30587614 0.79 CACNA1G (0.59) CACNA1GCACNA1ICACNA1HCACNA1C
SCHEMBL30587615 0.79 CACNA1G (0.59) CACNA1GCACNA1ICACNA1HCACNA1C
SCHEMBL18365943 0.79 CACNA1G (0.59) CACNA1GCACNA1ICACNA1HCACNA1C
SCHEMBL30890833 0.77 NPC1 (0.52) PTGER1CACNA1GCACNA1ICACNA1HSMN1; SMN2
SCHEMBL1661713 0.75 KDM4C (0.42)
SCHEMBL1663689 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1HTT
SCHEMBL2485700 0.75 HDAC1 (0.58) PTGER1CACNA1GCACNA1ICACNA1HSMN1; SMN2
SCHEMBL23165672 0.73 KMT2A (0.38) SMN1; SMN2L3MBTL1HTT
SCHEMBL29700080 0.72 PTGER1 (0.60) PTGER1CACNA1GCACNA1ISMN1; SMN2HDAC1
SCHEMBL16061522 0.72 ALDH1A1 (0.61) PTGER1CACNA1GCACNA1ICACNA1HSMN1; SMN2

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 PTGER1 67/4885CACNA1G 1067/4885CACNA1I 1018/4885

“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.