SCHEMBL1104719

SCHEMBL1104719

CC(C)(C)[C@H]1CCN(C(N)=O)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
EPHX2 P34913 1/20 0.41
HSD11B1 P28845 1/20 0.38
PDE4B Q07343 3/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
LYPLA1 O75608 1/20 0.34
LYPLA2 O95372 1/20 0.34
ATM Q13315 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL15448194 1.00 CYP2D6 (0.47) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL1104702 0.89 CYP2D6 (0.53) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL24777816 0.88 CYP2D6 (0.38) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL14136826 0.86 CYP2D6 (0.39) CYP2D6KCNH2HRH3EPHX2PDE4B
Hydrochloric Acid SCHEMBL14136820 0.84 CYP2D6 (0.38) CYP2D6KCNH2HRH3EPHX2PDE4B
SCHEMBL14592919 0.84 CYP2D6 (0.45) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL12550697 0.83 CYP2D6 (0.41) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL1104706 0.83 EPHX2 (0.53) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL12384517 0.83 EPHX2 (0.53) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL15298469 0.82 ATM (0.38) CYP2D6KCNH2HRH3EPHX2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481579-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-07-09 US disclosed
US-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-06-28 US disclosed
US-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-06-28 US disclosed
US-8153818-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2012-04-10 US disclosed
US-8153818-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2012-04-10 US disclosed
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-07-29 US disclosed
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-07-29 US disclosed
US-7718683-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-05-18 US disclosed
US-7718683-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-05-18 US disclosed
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 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 (3 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-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 CYP2D6 2413/4885KCNH2 4333/4885HRH3 94/4885
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 CYP2D6 2413/4885KCNH2 4333/4885HRH3 94/4885
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 CYP2D6 2413/4885KCNH2 4333/4885HRH3 94/4885

“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.