SCHEMBL3755529

SCHEMBL3755529

CCOC(=O)CCCC1c2ccc(C#N)c(C)c2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GPR119 Q8TDV5 4/20 0.35
UCHL1 P09936 3/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASR P41180 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
RET P07949 4/20 0.33
SSTR4 P31391 1/20 0.33
TNF P01375 1/20 0.33
AR P10275 2/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL3661897 0.86 NR1H2 (0.40) NR1H2NR1H3GPR119UCHL1MEN1
SCHEMBL3753873 0.83 NOD2 (0.40) NR1H2NR1H3GPR119UCHL1
SCHEMBL3662374 0.82 MEN1 (0.35) GPR119UCHL1MEN1KMT2AADORA1
SCHEMBL12312114 0.82 MEN1 (0.33) NR1H2NR1H3GPR119UCHL1MEN1
SCHEMBL3660992 0.81 NR1H2 (0.36) NR1H2NR1H3GPR119UCHL1MEN1
SCHEMBL3660988 0.81 NR1H2 (0.36) NR1H2NR1H3GPR119UCHL1MEN1
SCHEMBL2911313 0.81 ATM (0.36) NR1H2NR1H3GPR119UCHL1MEN1
SCHEMBL3757708 0.79 S1PR1 (0.55)
SCHEMBL3757167 0.72 UCHL1 (0.33) GPR119UCHL1MEN1KMT2A
SCHEMBL16204772 0.72 GHSR (0.44) ALDH1A1

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
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-8263620-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (SIP) GLAXO GROUP LIMITED (GB) 2012-09-11 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 US disclosed
US-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 US disclosed
WO-2009080728-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) 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 (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-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) S1PR3, S1PR1, S1PR2 NR1H2 191/4885NR1H3 159/4885GPR119 32/4885

“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.