SCHEMBL4354337

SCHEMBL4354337

CCOC(=O)N[C@@H]1C[C@H](C(=O)OC)[C@@H]2C[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.40
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
ATM Q13315 1/20 0.32
HSD11B1 P28845 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL4354339 1.00 CPB1 (0.40) CPB1NFKB1NFKB2RELALMNA
SCHEMBL1536088 0.86 NFKB1 (0.38) CPB1NFKB1NFKB2RELALMNA
SCHEMBL19250627 0.78 KDM1A (0.43) CPB1NFKB1NFKB2RELAGAA
SCHEMBL29383979 0.73 CA1 (0.38) CPB1LMNAGAA
SCHEMBL24318092 0.72 CA1 (0.44) GAA
SCHEMBL16001854 0.72 CA1 (0.44) GAA
SCHEMBL14671466 0.72 CA1 (0.44) GAA
SCHEMBL27916805 0.71 NFKB1 (0.44) CPB1NFKB1NFKB2RELALMNA
SCHEMBL19558486 0.71 CYP2C9 (0.39) CPB1GAAEPHX2
SCHEMBL19052833 0.70 F2R (0.44) NFKB1NFKB2RELALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2018-10-11 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 US disclosed
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 US disclosed
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 US disclosed
WO-2009152133-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-12-17 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 (4 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-20180291029-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 CPB1 1854/4885NFKB1 807/4885NFKB2 1142/4885
US-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 CPB1 1854/4885NFKB1 807/4885NFKB2 1142/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 CPB1 1854/4885NFKB1 807/4885NFKB2 1142/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 CPB1 1854/4885NFKB1 807/4885NFKB2 1142/4885

“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.