SCHEMBL434447

SCHEMBL434447

O=CC1(c2ccc(F)c(F)c2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.51
SLC6A4 P31645 10/20 0.51
SLC6A2 P23975 7/20 0.47
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PGR P06401 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CCR2 P41597 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL626015 0.95 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2PDE4APDE4B
SCHEMBL3521347 0.85 SLC6A3 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL3516436 0.85 SLC6A3 (0.55) SLC6A3SLC6A4SLC6A2PGRHDAC3
SCHEMBL881544 0.83 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2PGRHDAC3
SCHEMBL27969378 0.81 SLC6A3 (0.35) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL9077012 0.81 SLC6A3 (0.37) SLC6A3SLC6A4SLC6A2PDE4APDE4B
SCHEMBL436575 0.79 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2HDAC3HDAC1
SCHEMBL31485642 0.79 KDM1A (0.33) SLC6A3SLC6A4PDE4APDE4BPDE4C
SCHEMBL433241 0.78 RXRA (0.47) SLC6A3SLC6A4SLC6A2HDAC3HDAC1
SCHEMBL433242 0.78 RXRA (0.47) SLC6A3SLC6A4SLC6A2HDAC3HDAC1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARAMCEUTICALS INC. (US) 2020-02-18 US disclosed
US-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 US disclosed
CN-101394847-B Cycloalkylamines as monoamine reuptake inhibitors 塞普拉柯公司 2017-05-24 CN disclosed
EP-1976513-B1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2016-08-24 EP 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
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
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-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
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2010-07-29 US disclosed
EP-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 EP disclosed
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 US disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 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 (4 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-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885SLC6A2 2/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885SLC6A2 2/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A3 4/4885SLC6A4 5/4885SLC6A2 2/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 SLC6A3 2766/4885SLC6A4 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.