SCHEMBL1807683

SCHEMBL1807683

COC(=O)C/C=C/C1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
SLC6A3 Q01959 3/20 0.40
SLC6A4 P31645 2/20 0.40
ALDH1A1 P00352 3/20 0.39
S1PR1 P21453 1/20 0.39
SLC6A2 P23975 1/20 0.38
OPRM1 P35372 1/20 0.36
CACNA1G O43497 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 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
SCHEMBL1807686 1.00 HSD11B1 (0.43) HSD11B1SLC6A3SLC6A4ALDH1A1S1PR1
SCHEMBL12653436 0.87 SMN1; SMN2 (0.42) HSD11B1SLC6A3SLC6A4ALDH1A1SLC6A2
SCHEMBL433257 0.83 HSD11B1 (0.54) HSD11B1SLC6A3SLC6A4ALDH1A1S1PR1
SCHEMBL433694 0.83 HSD11B1 (0.54) HSD11B1SLC6A3SLC6A4ALDH1A1S1PR1
SCHEMBL11971347 0.77 SLC6A3 (0.45) HSD11B1SLC6A3SLC6A4ALDH1A1S1PR1
SCHEMBL15043707 0.77 SLC6A3 (0.45) HSD11B1SLC6A3SLC6A4S1PR1SLC6A2
SCHEMBL1805761 0.77 SLC6A3 (0.45) HSD11B1SLC6A3SLC6A4ALDH1A1S1PR1
SCHEMBL12000497 0.75 OPRM1 (0.45) HSD11B1SLC6A3SLC6A4ALDH1A1SLC6A2
SCHEMBL15042302 0.73 SLC6A3 (0.42) HSD11B1SLC6A3SLC6A4S1PR1SLC6A2
SCHEMBL1807718 0.73 HSD11B1 (0.50) HSD11B1SLC6A3SLC6A4ALDH1A1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP 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
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP 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-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 (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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R HSD11B1 782/4885SLC6A3 3263/4885SLC6A4 2800/4885

“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.