SCHEMBL1815366

SCHEMBL1815366

COc1ccc(C(CNC(=O)c2noc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
MAPT P10636 6/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.58
HSD17B10 Q99714 6/20 0.53
TP53 P04637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
S1PR1 P21453 6/20 0.53
S1PR3 Q99500 4/20 0.52
TSHR P16473 3/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL21370022 0.94 SMN1; SMN2 (0.58) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1811689 0.93 S1PR1 (0.58) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1814756 0.88 S1PR1 (0.57) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1816590 0.83 HSD17B10 (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL21369298 0.83 S1PR1 (0.61) MAPTRAB9AALDH1A1HSD17B10KDM4E
SCHEMBL1814499 0.81 RAB9A (0.67) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1816543 0.80 S1PR1 (0.61) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1807494 0.80 S1PR1 (0.57) SMN1; SMN2MAPTALDH1A1HTTHSD17B10
SCHEMBL1815894 0.80 S1PR1 (0.58) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1812390 0.80 S1PR1 (0.61) SMN1; SMN2MAPTNPC1RAB9AHSD17B10

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
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
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 SMN1; SMN2 2787/4885MAPT 4716/4885NPC1 936/4885

“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.