SCHEMBL1811202

SCHEMBL1811202

C=Cc1ccc2c(c1)CCc1c-2noc1-c1ccc(OCC)c(OCC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.59
S1PR3 Q99500 7/20 0.59
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1810621 0.90 S1PR1 (0.61) S1PR1S1PR3CYP1A2CYP2D6ABCC4
SCHEMBL1814051 0.81 S1PR1 (0.60) S1PR1S1PR3CYP1A2CYP2D6SMN1; SMN2
SCHEMBL1815710 0.80 S1PR1 (0.61) S1PR1S1PR3CYP1A2CYP2D6KCNH2
SCHEMBL12000506 0.80 S1PR1 (0.47) S1PR1S1PR3CYP1A2CYP2D6S1PR5
SCHEMBL1811219 0.78 S1PR1 (0.61) S1PR1S1PR3KCNH2S1PR2S1PR4
SCHEMBL12000518 0.78 S1PR1 (0.47) S1PR1S1PR3CYP1A2CYP2D6KCNH2
SCHEMBL12000509 0.77 S1PR1 (0.46) S1PR1S1PR3CYP1A2CYP2D6
SCHEMBL1813349 0.77 S1PR1 (0.61) S1PR1S1PR3KCNH2S1PR5
SCHEMBL16401240 0.75 S1PR1 (0.44) S1PR1S1PR3CYP1A2CYP2D6KCNH2
SCHEMBL16301193 0.75 S1PR1 (0.52) S1PR1S1PR3CYP1A2CYP2D6KCNH2

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 12 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

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 1/4885S1PR3 2/4885CYP1A2 1442/4885

“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.