SCHEMBL1809558

SCHEMBL1809558

Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2)on1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 1.00
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
S1PR3 Q99500 5/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2C8 P10632 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HCAR2 Q8TDS4 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL1814755 0.83 S1PR1 (0.71) S1PR1S1PR3CYP2C9CYP2C8HCAR2
SCHEMBL5730238 0.80 S1PR1 (0.67) S1PR1NPC1RAB9AHSD17B1HSD17B2
SCHEMBL5730054 0.79 S1PR1 (0.73) S1PR1HSD17B1S1PR3CYP2C9CYP2C8
SCHEMBL5729746 0.78 S1PR1 (0.63) S1PR1NPC1RAB9AS1PR3CYP2C9
SCHEMBL1815185 0.77 S1PR1 (0.64) S1PR1S1PR3CYP2C8CYP3A4KCNH2
SCHEMBL5729236 0.75 S1PR1 (0.60) S1PR1NPC1RAB9ACYP2C9CYP2C8
SCHEMBL5729648 0.74 S1PR1 (0.60) S1PR1S1PR3CYP2C9CYP2C8HCAR2
SCHEMBL1814130 0.72 S1PR1 (1.00) S1PR1S1PR3CYP2C9CYP2C8MEN1
SCHEMBL1814532 0.71 S1PR1 (1.00) S1PR1S1PR3CYP1A2
SCHEMBL5729289 0.71 S1PR1 (0.63) S1PR1HSD17B1S1PR3CYP2C9CYP2C8

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 8 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 claimed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US claimed
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 S1PR1 1/4885NPC1 936/4885RAB9A 2010/4885

“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.