SCHEMBL495839

SCHEMBL495839

CC(C)(C)c1ccc(C(N)=O)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.55
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
BTK Q06187 1/20 0.43
ESRRG P62508 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
GAA P10253 2/20 0.42
LRRK2 Q5S007 1/20 0.42
PARP10 Q53GL7 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
PARP15 Q460N3 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
KCNN4 O15554 1/20 0.40
PARP14 Q460N5 1/20 0.40
ALOX5AP P20292 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29607105 0.87 DGAT1 (0.58) DGAT1EPHX2NR1H4BTKESRRG
SCHEMBL22093643 0.87 DGAT1 (0.53) DGAT1EPHX2NR1H4ESRRGGAA
SCHEMBL6613345 0.87 DGAT1 (0.58) DGAT1EPHX2NR1H4BTKESRRG
Hydrochloric Acid SCHEMBL29607577 0.86 DGAT1 (0.56) DGAT1EPHX2NR1H4BTKESRRG
SCHEMBL11346608 0.85 TDP1 (0.42) DGAT1EPHX2NR1H4TDP1GAA
SCHEMBL2920377 0.83 DGAT1 (0.56) DGAT1GAAALDH1A1KMT2AL3MBTL1
SCHEMBL26804966 0.83 NR1H4 (0.46) EPHX2NR1H4ESRRGTDP1GAA
SCHEMBL495841 0.83 NR1H4 (0.60) EPHX2NR1H4ESRRGTDP1GAA
SCHEMBL10418922 0.82 TDP1 (0.50) EPHX2NR1H4ESRRGTDP1GAA
SCHEMBL18130731 0.81 ALDH1A1 (0.47) EPHX2NR1H4ESRRGTDP1GAA

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382900-A1 INHIBITORS OF BTK NEWAVE PHARMACEUTICAL INC. 2023-11-30 US claimed
EP-3280419-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-14 EP claimed
WO-2016164285-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO claimed
JP-2007523865-A 2007-08-23 JP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
US-20230382900-A1 INHIBITORS OF BTK NEWAVE PHARMACEUTICAL INC. 2023-11-30 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2023-08-10 US disclosed
US-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2023-08-10 US disclosed
US-11680049-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-20 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 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 (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-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 DGAT1 1915/4885EPHX2 1496/4885NR1H4 3032/4885
US-20230382900-A1 INHIBITORS OF BTK BTK, SYK, LYN DGAT1 3021/4885EPHX2 3302/4885NR1H4 2801/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 DGAT1 2288/4885EPHX2 2882/4885NR1H4 270/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 DGAT1 3727/4885EPHX2 2224/4885NR1H4 3576/4885
US-11680049-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 DGAT1 1915/4885EPHX2 1496/4885NR1H4 3032/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G DGAT1 1551/4885EPHX2 823/4885NR1H4 602/4885

“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.