SCHEMBL1241067

SCHEMBL1241067

CC(C)(C)OC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
PKM P14618 1/20 0.69
GRIN2B Q13224 5/20 0.54
HTT P42858 1/20 0.54
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 3/20 0.53
STS P08842 1/20 0.53
GPR119 Q8TDV5 1/20 0.53
YAP1 P46937 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TGFBR1 P36897 1/20 0.52
TPSAB1 Q15661 2/20 0.51
TPSD1 Q9BZJ3 2/20 0.51
TPSG1 Q9NRR2 2/20 0.51
CYP3A4 P08684 2/20 0.51
PRMT5 O14744 1/20 0.51

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
SCHEMBL20660273 0.96 KDM4E (0.64) KDM4EPKMGRIN2BHTTCYP2D6
SCHEMBL26496169 0.94 KDM4E (0.61) KDM4EPKMGRIN2BHTTCYP2D6
SCHEMBL3272146 0.94 KDM4E (0.60) KDM4EPKMGRIN2BHTTCYP2D6
SCHEMBL12723099 0.94 KDM4E (0.60) KDM4EPKMGRIN2BHTTCYP2D6
SCHEMBL19706814 0.94 KDM4E (0.60) KDM4EPKMGRIN2BHTTCYP2D6
SCHEMBL3040666 0.93 KDM4E (0.62) KDM4EPKMGRIN2BHTTCYP2D6
SCHEMBL5351275 0.91 KDM4E (0.62) KDM4EPKMGRIN2BHTTCYP2D6
SCHEMBL20782479 0.90 KDM4E (0.58) KDM4EPKMHTTSTSGPR119
SCHEMBL2826301 0.89 NAMPT (0.61) KDM4EPKMHTTCYP2D6STS
SCHEMBL29532829 0.88 GRIN2B (0.67) GRIN2BHTTCYP2D6CYP2C9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110724142-B Amide or sulfonamide substituted hydrazine derivatives as JAK kinase inhibitors 启元生物(杭州)有限公司 2022-09-02 CN disclosed
CN-110724142-A Amide or sulfonamide substituted hydrazine derivatives as JAK kinase inhibitors 维眸生物科技(上海)有限公司 2020-01-24 CN disclosed
EP-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 EP disclosed
US-9655904-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2467377-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-28 EP disclosed
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators VENTIRX PHARMACEUTICALS INC (US) 2016-05-12 US disclosed
US-9126940-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-08-21 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 WO disclosed
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK SHARP & DOHME LLC 2002-11-07 US disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 WO disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 WO disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
EP-1019052-A4 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-16 EP disclosed
US-6143750-A NITROGEN HETEROCYCLIC COMPOUNDS AS ENZYME INHIBITORS, FOR PROSTATE PROBLEMS AND MUSCLE RELAXANTS MERCK & CO., INC. (US) 2000-11-07 US disclosed
EP-1019052-A1 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-07-19 EP disclosed
WO-1998057640-A1 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 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-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 KDM4E 333/4885PKM 2756/4885GRIN2B 240/4885
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 KDM4E 925/4885PKM 2493/4885GRIN2B 225/4885
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN KDM4E 2371/4885PKM 1716/4885GRIN2B 98/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A KDM4E 2372/4885PKM 3800/4885GRIN2B 2/4885

“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.