SCHEMBL1813698

SCHEMBL1813698

O=Cc1ccc2c(c1)CCc1c-2noc1-c1ccc(C2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.64
S1PR3 Q99500 10/20 0.64
PTPRB P23467 1/20 0.40
NOTUM Q6P988 3/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 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
SCHEMBL1812757 0.91 S1PR1 (0.62) S1PR1S1PR3PTPRBNOTUMCYP3A4
SCHEMBL21369968 0.86 S1PR1 (0.65) S1PR1S1PR3PTPRBNOTUMCYP3A4
SCHEMBL12000617 0.86 S1PR1 (0.48) S1PR1S1PR3NOTUM
SCHEMBL1815686 0.80 S1PR1 (0.43) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1814046 0.79 S1PR1 (0.68) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1811414 0.79 S1PR1 (1.00) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1809140 0.78 S1PR1 (0.64) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1816675 0.78 S1PR1 (0.64) S1PR1S1PR3KCNH2
SCHEMBL12000616 0.77 S1PR1 (0.46) S1PR1S1PR3NOTUM
SCHEMBL16401663 0.75 IP6K1 (0.43) S1PR1S1PR3CYP3A4CYP2C8KCNH2

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 10 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
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
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 2/4885PTPRB 3430/4885

“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.