SCHEMBL3083660

SCHEMBL3083660

COC(=O)CCC1c2ccc(C#N)cc2CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
GHSR Q92847 5/20 0.37
GPR119 Q8TDV5 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ABCB1 P08183 1/20 0.35
UCHL1 P09936 1/20 0.35
DRD3 P35462 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL2915023 0.87 ESR2 (0.43) GHSRNPC1RAB9AARALDH1A1
SCHEMBL13091476 0.83 GHSR (0.37) GHSRGPR119NPC1RAB9AALDH1A1
SCHEMBL2917328 0.82 GHSR (0.36) GHSRNPC1RAB9AHDAC8HDAC6
SCHEMBL13091477 0.81 GHSR (0.36) GHSRNPC1RAB9AUCHL1
SCHEMBL2916500 0.81 GHSR (0.41) DRD2GHSRDRD3
SCHEMBL2916895 0.80 GHSR (0.57) GHSR
SCHEMBL30428673 0.77 MTNR1B (0.43) DRD2GHSRHDAC1HDAC8
SCHEMBL18793347 0.75 DRD2 (0.46) DRD2GHSRGPR119ARIRAK4
SCHEMBL29676890 0.75 DRD2 (0.46) DRD2GHSRGPR119ARIRAK4
SCHEMBL2918069 0.73 ATM (0.38) GPR119ALDH1A1UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
WO-2009080730-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES 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-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SSB, RORC, OXA1L DRD2 3011/4885GHSR 3186/4885GPR119 444/4885

“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.