SCHEMBL3660992

SCHEMBL3660992

CCOC(=O)C=CCC1c2ccc(C#N)c(C)c2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
GPR119 Q8TDV5 4/20 0.35
UCHL1 P09936 3/20 0.34
RET P07949 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 2/20 0.32
ADORA1 P30542 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRM5 P41594 1/20 0.31
ELANE P08246 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SSTR4 P31391 1/20 0.31

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
SCHEMBL3660988 1.00 NR1H2 (0.36) NR1H2NR1H3GPR119UCHL1RET
SCHEMBL13786461 0.87 ADORA1 (0.36) NR1H2NR1H3GPR119UCHL1MEN1
SCHEMBL3755529 0.81 NR1H2 (0.37) NR1H2NR1H3GPR119UCHL1RET
SCHEMBL2910069 0.81 MEN1 (0.36) NR1H2NR1H3GPR119UCHL1RET
SCHEMBL2910076 0.81 MEN1 (0.36) NR1H2NR1H3GPR119UCHL1RET
SCHEMBL3661897 0.81 NR1H2 (0.40) NR1H2NR1H3GPR119UCHL1MEN1
SCHEMBL3753873 0.79 NOD2 (0.40) NR1H2NR1H3GPR119UCHL1
SCHEMBL16203013 0.78 GHSR (0.42) ALDH1A1
SCHEMBL24529024 0.69 LMNA (0.45) UCHL1MEN1KMT2AADORA1ALDH1A1
SCHEMBL1831292 0.68 MTOR (0.36) MEN1KMT2AALDH1A1

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 4 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-20100298373-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2010-11-25 US disclosed
EP-2222671-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) Glaxo Group Limited (GB) 2010-09-01 EP 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.