Sugi Predict

Sugi Predict / Compounds / SCHEMBL1104702

SCHEMBL1104702

SCHEMBL1104702

CC(C)(C)C1CCN(C(N)=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53
▸ EPHX2 P34913 1/20 0.46
▸ HSD11B1 P28845 1/20 0.42
▸ LYPLA1 O75608 1/20 0.38
▸ LYPLA2 O95372 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ LIPA P38571 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM1A O60341 1/20 0.33

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
SCHEMBL1104719 0.89 CYP2D6 (0.47) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL15448194 0.89 CYP2D6 (0.47) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL12550697 0.81 CYP2D6 (0.41) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL179353 0.80 EPHX2 (0.66) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL5765556 0.80 CYP2D6 (0.55) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL15298469 0.79 ATM (0.38) CYP2D6KCNH2HRH3EPHX2HSD11B1
SCHEMBL14136826 0.79 CYP2D6 (0.39) CYP2D6KCNH2HRH3EPHX2GAA
SCHEMBL18312206 0.78 SPR (0.41) CYP2D6KCNH2HRH3GAA
SCHEMBL22685544 0.78 CYP2D6 (0.53) CYP2D6KCNH2HRH3EPHX2HSD11B1
Hydrochloric Acid SCHEMBL29034671 0.78 CYP2D6 (0.53) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023237015-A1 N-TETRAZOLYL ARYL UREA DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF 杭州壹瑞医药科技有限公司 2023-12-14 — — WO disclosed
US-10954229-B2 GPR119 agonist compounds MANKIND PHARMA LTD. (IN) 2021-03-23 — — US disclosed
US-20200317661-A1 NOVEL GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD. (IN) 2020-10-08 — — US disclosed
US-10752622-B2 GPR119 agonist compounds MANKIND PHARMA LTD. (IN) 2020-08-25 — — US disclosed
US-20190127363-A1 NOVEL GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD. (IN) 2019-05-02 — — US disclosed
US-20170291894-A1 NOVEL GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD. (IN) 2017-10-12 — — US disclosed
US-9580415-B2 Compounds PROXIMAGEN LIMITED (GB) 2017-02-28 — — US disclosed
US-9580415-B2 Compounds PROXIMAGEN LIMITED (GB) 2017-02-28 — — US disclosed
US-20160024080-A1 NEW COMPOUNDS PROXIMAGEN, LLC 2016-01-28 — — US disclosed
US-20160024080-A1 NEW COMPOUNDS PROXIMAGEN, LLC 2016-01-28 — — US disclosed
US-8481579-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-07-09 — — US disclosed
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20200317661-A1 NOVEL GPR119 AGONIST COMPOUNDS GPR119, GPR84, GPR88 CYP2D6 2149/4885KCNH2 904/4885HRH3 408/4885
US-20170291894-A1 NOVEL GPR119 AGONIST COMPOUNDS GPR119, GPR84, GPR88 CYP2D6 2149/4885KCNH2 904/4885HRH3 408/4885
US-10752622-B2 GPR119 agonist compounds GPR119, GPR84, GPR65 CYP2D6 2001/4885KCNH2 1015/4885HRH3 439/4885
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 CYP2D6 2413/4885KCNH2 4333/4885HRH3 94/4885
US-20160024080-A1 NEW COMPOUNDS QSOX1, MAOB, MAOA CYP2D6 96/4885KCNH2 2335/4885HRH3 2909/4885
US-10954229-B2 GPR119 agonist compounds GPR119, GPR84, GPR65 CYP2D6 2001/4885KCNH2 1015/4885HRH3 439/4885
US-20190127363-A1 NOVEL GPR119 AGONIST COMPOUNDS GPR119, GPR84, GPR88 CYP2D6 2149/4885KCNH2 904/4885HRH3 408/4885

“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.