SCHEMBL1806218

SCHEMBL1806218

COC(=O)CCCC1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.54
SLC6A3 Q01959 4/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A2 P23975 1/20 0.48
CACNA1G O43497 5/20 0.44
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL1807482 0.87 HSD11B1 (0.51) HSD11B1SLC6A3SLC6A4SLC6A2CACNA1G
SCHEMBL12653435 0.86 PSEN1 (0.38) HSD11B1SLC6A3SLC6A4SLC6A2PSEN1
SCHEMBL12653432 0.86 POLB (0.50) SLC6A3SLC6A4MEN1ALDH1A1KMT2A
SCHEMBL21131084 0.86 SLC6A4 (0.49) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1
SCHEMBL12653437 0.85 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2PSEN1PSEN2
SCHEMBL435013 0.83 HSD11B1 (0.68) HSD11B1SLC6A3SLC6A4SLC6A2CACNA1G
SCHEMBL12653433 0.80 PSEN1 (0.47) HSD11B1SLC6A3SLC6A4PSEN1PSEN2
SCHEMBL12886747 0.79 LMNA (0.44) MEN1ALDH1A1KMT2A
SCHEMBL12653434 0.78 L3MBTL1 (0.43) SLC6A3SLC6A4SLC6A2PSEN1PSEN2
SCHEMBL1806822 0.78 HSD11B1 (0.54) HSD11B1SLC6A3SLC6A4SLC6A2CACNA1G

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.