SCHEMBL1811284

SCHEMBL1811284

COc1ccc2c(c1)CCc1c-2noc1-c1onc(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
S1PR1 P21453 15/20 0.58
S1PR3 Q99500 10/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C8 P10632 1/20 0.58
KCNH2 Q12809 1/20 0.58
TP53 P04637 1/20 0.49
ACHE P22303 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1814457 0.92 S1PR1 (0.61) CYP1A2CYP2D6S1PR1S1PR3CYP3A4
SCHEMBL21369985 0.86 S1PR1 (0.61) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1815185 0.84 S1PR1 (0.64) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL11971369 0.82 S1PR1 (0.62) CYP1A2CYP2D6S1PR1S1PR3CYP3A4
SCHEMBL27887260 0.82 S1PR1 (0.68) CYP1A2CYP2D6S1PR1S1PR3CYP3A4
SCHEMBL1814196 0.82 S1PR1 (0.62) CYP1A2CYP2D6S1PR1S1PR3CYP3A4
SCHEMBL1815321 0.81 S1PR1 (0.58) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1810618 0.81 S1PR1 (0.61) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL11971429 0.79 S1PR1 (0.53) CYP1A2CYP2D6S1PR1S1PR3TP53
SCHEMBL5729598 0.78 CYP1A2 (0.75) CYP1A2CYP2D6S1PR1CYP3A4TP53

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 13 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
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 CYP1A2 1442/4885CYP2D6 3151/4885S1PR1 1/4885

“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.