SCHEMBL3065637

SCHEMBL3065637

COc1cccc(CCC(N)=O)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.52
TAAR1 Q96RJ0 1/20 0.42
NR3C2 P08235 1/20 0.42
MTNR1B P49286 1/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARA Q07869 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL3954801 0.85 LMNA (0.50) LMNAL3MBTL1PPARACA12CA1
SCHEMBL31689751 0.85 TAAR1 (0.59) MTNR1ATAAR1NR3C2MTNR1BLMNA
SCHEMBL2437293 0.85 TAAR1 (0.59) MTNR1ATAAR1NR3C2MTNR1BLMNA
SCHEMBL4684928 0.84 CA12 (0.55) MTNR1ALMNACA12CA1CA2
SCHEMBL3948116 0.81 CYP4F2 (0.59) LMNAPPARASMN1; SMN2KMT2AMAPT
SCHEMBL5723903 0.81 MTNR1A (0.48) MTNR1ALMNAL3MBTL1CA12CA1
SCHEMBL31689793 0.80 TAAR1 (0.50) TAAR1CA12CA1CA2CA7
SCHEMBL31689794 0.80 TAAR1 (0.50) TAAR1CA12CA1CA2CA7
SCHEMBL6174574 0.79 PPARA (0.50) LMNAMAPK1PPARACA12CA1
SCHEMBL3062955 0.78 TAAR1 (0.69) TAAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746254-A2 Oxadiazole derivative active on sphingosine-1-phosphate (s1p) Glaxo Group Limited (GB) 2014-06-25 EP disclosed
EP-2225233-B1 OXADIAZOLE DERIVATIVE ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LTD (GB) 2013-09-04 EP disclosed
US-8278324-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
EP-2225233-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) Glaxo Group Limited (GB) 2010-09-08 EP disclosed
US-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2010-06-17 US disclosed
WO-2009080724-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2009-07-02 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 (2 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-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) S1PR3, S1PR1, S1PR2 MTNR1A 1641/4885TAAR1 2880/4885NR3C2 457/4885
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) S1PR3, S1PR1, S1PR2 MTNR1A 1645/4885TAAR1 2607/4885NR3C2 396/4885

“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.