SCHEMBL1814196

SCHEMBL1814196

COc1ccc2c(c1)CCc1nc(-c3onc(-c4ccccc4)c3C(F)(F)F)sc1-2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.62
S1PR3 Q99500 8/20 0.62
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ACHE P22303 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
GLA P06280 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
SCHEMBL1807290 0.89 S1PR1 (0.63) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL12000546 0.88 CYP1A2 (0.49) S1PR1S1PR3CYP1A2CYP2D6ACHE
SCHEMBL1813889 0.86 S1PR1 (0.65) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1807049 0.86 S1PR1 (0.67) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL11971625 0.86 S1PR1 (0.65) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1811861 0.84 S1PR1 (0.63) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1811075 0.84 S1PR1 (0.64) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL19927527 0.84 S1PR1 (0.69) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1814894 0.83 S1PR1 (0.64) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL11971369 0.83 S1PR1 (0.62) S1PR1S1PR3CYP1A2CYP2D6ACHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 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.