SCHEMBL432476

SCHEMBL432476

O=CCC1(c2ccccc2)CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.55
SLC6A4 P31645 4/20 0.53
SLC6A2 P23975 3/20 0.53
SLC6A3 Q01959 3/20 0.53
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8107358 0.98 DPP4 (0.57) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL16515961 0.94 DPP4 (0.52) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL19207570 0.90 MAOA (0.54) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL38042 0.81 TACR1 (0.51) SLC6A4MAOAMAOBTAAR1
SCHEMBL251313 0.81 DPP4 (0.55) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL13211397 0.80 SLC6A4 (0.46) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL2443315 0.79 KMT2A (0.38) DPP4SLC6A4SLC6A2SLC6A3L3MBTL1
SCHEMBL18668717 0.78 DPP4 (0.57) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL433303 0.78 SLC6A4 (0.50) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL9477383 0.78 CYP19A1 (0.38) SLC6A4SLC6A2SLC6A3TSHRHTT

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 26 patents — showing the first 20. 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
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
CN-103237795-B Substituted oxadiazole compounds and their use as S1P1Use of agonists BRISTOL-MYERS SQUIBB CO. (US) 2015-10-21 CN disclosed
EP-2619190-B1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP 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
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP disclosed
CN-103124727-B Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO 2015-03-25 CN disclosed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
US-8455520-B2 Soluble epoxide hydrolase inhibitors, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-06-04 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-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
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO disclosed
CN-1354750-A Amine derivatives compounds SANKYO CO (JP) 2002-06-19 CN 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-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 DPP4 3949/4885SLC6A4 2698/4885SLC6A2 2889/4885

“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.