SCHEMBL1807152

SCHEMBL1807152

O=COC1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.44
HSD11B1 P28845 3/20 0.44
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 1/20 0.41
ALDH1A1 P00352 2/20 0.36
PLA2G7 Q13093 1/20 0.35
RORC P51449 4/20 0.35
NR1I2 O75469 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL5276713 0.98 SLC6A3 (0.42) SLC6A3HSD11B1SLC6A4SLC6A2ALDH1A1
SCHEMBL697114 0.90 MAOB (0.36) SLC6A3HSD11B1SLC6A4SLC6A2RORC
SCHEMBL694701 0.81 SLC6A4 (0.44) SLC6A3HSD11B1SLC6A4SLC6A2
SCHEMBL2861574 0.81 DRD3 (0.45) SLC6A3SLC6A4SLC6A2
SCHEMBL2318965 0.79 HDAC4 (0.42) SLC6A3HSD11B1SLC6A4SLC6A2ALDH1A1
SCHEMBL4678558 0.79 SMN1; SMN2 (0.39) ALDH1A1RORC
SCHEMBL6792552 0.79 SLC6A4 (0.49) SLC6A3SLC6A4SLC6A2ALDH1A1HDAC3
SCHEMBL4735252 0.79 DRD3 (0.46) SLC6A3SLC6A4SLC6A2
SCHEMBL5182694 0.77 SLC6A4 (0.44) SLC6A3HSD11B1SLC6A4SLC6A2ALDH1A1
SCHEMBL4145354 0.76 SLC6A4 (0.46) SLC6A3SLC6A4SLC6A2ALDH1A1

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 6 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
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-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
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 SLC6A3 3263/4885HSD11B1 782/4885SLC6A4 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.