SCHEMBL12313745

SCHEMBL12313745

CC(C)(C)N1CCC(n2cncn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
ACHE P22303 1/20 0.32
SPR P35270 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PRCP P42785 1/20 0.31
PDE9A O76083 1/20 0.31
TACR2 P21452 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL16001945 0.79 EPHX2 (0.40) EPHX2ACHESPRLRRK2PRCP
SCHEMBL14717289 0.78
SCHEMBL12384736 0.76 EPHX2 (0.33) EPHX2ACHELMNA
SCHEMBL12384407 0.76 EPHX2 (0.33) EPHX2ACHELMNA
SCHEMBL18702093 0.76 EPHX2 (0.47) EPHX2SPRLRRK2PRCPTACR2
SCHEMBL12385988 0.73 EPHX2 (0.35) EPHX2ACHE
SCHEMBL3865354 0.72 GPR119 (0.54) EPHX2
SCHEMBL12312671 0.71 EPHX2 (0.39) EPHX2LRRK2PRCPPDE9A
SCHEMBL15215226 0.71 ACHE (0.32) ACHELMNA
SCHEMBL12313120 0.71 IDO1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751873-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2017-09-05 US disclosed
US-9751873-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2017-09-05 US disclosed
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-10-27 US disclosed
US-20160168141-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-06-16 US disclosed
US-9113631-B2 1,3-diaryl-substituted heterocyclic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-25 US disclosed
US-9115101-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2015-08-25 US disclosed
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2015-07-16 US disclosed
US-20140249025-A1 1,3-DIARYL-SUBSTITUTED HETEROCYCLIC PESTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2014-09-04 US disclosed
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH INC (US) 2014-01-30 US disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US 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 (6 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-20160168141-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA EPHX2 2723/4885ACHE 3236/4885SPR 721/4885
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA EPHX2 2723/4885ACHE 3236/4885SPR 721/4885
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB EPHX2 2688/4885ACHE 2687/4885SPR 1106/4885
US-20140249025-A1 1,3-DIARYL-SUBSTITUTED HETEROCYCLIC PESTICIDES DDT, CHRM1, CYP1B1 EPHX2 618/4885ACHE 7/4885SPR 3494/4885
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA EPHX2 2758/4885ACHE 3312/4885SPR 721/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R EPHX2 4352/4885ACHE 4469/4885SPR 4011/4885

“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.