SCHEMBL435334

SCHEMBL435334

O=C(O)CCC1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.71
SLC6A3 Q01959 4/20 0.56
CACNA1G O43497 6/20 0.55
SLC6A4 P31645 3/20 0.51
SLC6A2 P23975 1/20 0.51
S1PR1 P21453 2/20 0.43

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
SCHEMBL435013 0.91 HSD11B1 (0.68) HSD11B1SLC6A3CACNA1GSLC6A4SLC6A2
SCHEMBL1807409 0.86 HSD11B1 (0.60) HSD11B1SLC6A3CACNA1GSLC6A4SLC6A2
SCHEMBL436643 0.85 DPP4 (0.52) HSD11B1SLC6A3CACNA1GSLC6A4SLC6A2
SCHEMBL872447 0.84 HSD11B1 (0.50) HSD11B1SLC6A3CACNA1GSLC6A4SLC6A2
SCHEMBL433244 0.83 SLC6A3 (0.59) HSD11B1SLC6A3CACNA1GSLC6A4SLC6A2
SCHEMBL8485828 0.83 DPP4 (0.53) HSD11B1SLC6A3SLC6A4SLC6A2
SCHEMBL4245329 0.81 HSD11B1 (0.97) HSD11B1SLC6A3CACNA1GSLC6A4SLC6A2
SCHEMBL1807144 0.80 HSD11B1 (0.54) HSD11B1SLC6A3CACNA1GSLC6A4SLC6A2
SCHEMBL18440285 0.80 EPHX2 (0.52) HSD11B1SLC6A3SLC6A4SLC6A2
SCHEMBL627571 0.78 HSD11B1 (0.90) HSD11B1SLC6A3CACNA1GSLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
CN-102686571-B tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN 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
EP-2595969-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
CN-103124727-A Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO 2013-05-29 CN disclosed
CN-102686571-A Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO 2012-09-19 CN disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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 (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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R HSD11B1 782/4885SLC6A3 3263/4885CACNA1G 705/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 HSD11B1 983/4885SLC6A3 2766/4885CACNA1G 1502/4885

“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.