SCHEMBL435746

SCHEMBL435746

CC(C)(C)OC(=O)COCC1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.41
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 3/20 0.40
SLC6A2 P23975 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR1 P21453 3/20 0.39
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TACR1 P25103 2/20 0.37
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 2/20 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
SCHEMBL433829 0.84 HSD11B1 (0.50) SLC6A4SLC6A3SLC6A2S1PR1TACR1
SCHEMBL433332 0.81 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2S1PR1HTR2C
SCHEMBL31650456 0.76 DRD2 (0.44) DRD2SLC6A4SLC6A3SLC6A2MEN1
SCHEMBL436606 0.75 HSD11B1 (0.45) SLC6A4SLC6A3SLC6A2HTR2BTACR1
SCHEMBL15043699 0.74 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2MEN1KMT2A
SCHEMBL14525409 0.71 HSD11B1 (0.40) DRD2MEN1KMT2AALDH1A1HSD11B1
SCHEMBL973548 0.71 MEN1 (0.52) DRD2MEN1KMT2ATACR1
SCHEMBL14161293 0.71 HSD11B1 (0.50) DRD2ALDH1A1HSD11B1
SCHEMBL15042324 0.71 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2S1PR1HTR2C
SCHEMBL5369331 0.70 POLB (0.43) DRD2SLC6A4SLC6A3SLC6A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
EP-2619190-B1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP disclosed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
EP-2619190-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS Bristol-Myers Squibb Company (US) 2013-07-31 EP disclosed
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
EP-2595969-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 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-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 DRD2 409/4885SLC6A4 2567/4885SLC6A3 2098/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 DRD2 668/4885SLC6A4 2698/4885SLC6A3 2766/4885

“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.