SCHEMBL4739688

SCHEMBL4739688

CC(C)(C)OC(=O)N1CCc2[nH]c(=O)c(Br)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
NR1H2 P55055 3/20 0.50
MAPK1 P28482 1/20 0.44
MAPT P10636 3/20 0.40
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.38
ADORA1 P30542 1/20 0.37
NAMPT P43490 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL18044675 0.90 ESR2 (0.51) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL19657869 0.85 ESR2 (0.51) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL10208240 0.82 ESR2 (0.48) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL978367 0.81 ESR2 (0.54) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL14514596 0.79 ESR2 (0.52) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL14514595 0.79 ESR2 (0.52) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL1039549 0.79 ESR2 (0.57) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL27108600 0.78 NR1H2 (0.53) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL31597683 0.76 ESR2 (0.61) ESR2NR1H2MAPK1MAPTDDB1
SCHEMBL2805947 0.76 ESR2 (0.61) ESR2NR1H2MAPK1MAPTDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 EP disclosed
EP-4067347-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2024-06-19 EP disclosed
CN-118103038-A 17 Beta-hydroxysteroid dehydrogenase 13 inhibitors and methods of use thereof 英安塔制药有限公司 2024-05-28 CN disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 WO disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 WO disclosed
EP-4067347-A1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER Genentech, Inc. (US) 2022-10-05 EP disclosed
CN-115028617-A Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-09-09 CN disclosed
CN-109476641-B Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-07-05 CN disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 US disclosed
EP-3464270-A2 HETEROCYCLIC INHIBITORS OF CBP/EP300 AND THEIR USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2019-04-10 EP disclosed
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
WO-2008079316-A1 TETRAHYDROQUINOLINONES, TETRAHYDRONAPHTHYRIDONES AND DERIVATIVES THEREOF CARA THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
WO-2008079316-A1 TETRAHYDROQUINOLINONES, TETRAHYDRONAPHTHYRIDONES AND DERIVATIVES THEREOF CARA THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed
US-20080161340-A1 Tetrahydroquinilinones, tetrahydronaphthyridones and derivatives thereof CARA THERAPEUTICS, INC. (US) 2008-07-03 US disclosed
US-20080161340-A1 Tetrahydroquinilinones, tetrahydronaphthyridones and derivatives thereof CARA THERAPEUTICS, INC. (US) 2008-07-03 US disclosed
US-20080161340-A1 Tetrahydroquinilinones, tetrahydronaphthyridones and derivatives thereof CARA THERAPEUTICS, INC. (US) 2008-07-03 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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 ESR2 823/4885NR1H2 58/4885MAPK1 2464/4885
US-20080161340-A1 Tetrahydroquinilinones, tetrahydronaphthyridones and derivatives thereof CNR1, CNR2, TRPV1 ESR2 2571/4885NR1H2 111/4885MAPK1 1438/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 ESR2 687/4885NR1H2 163/4885MAPK1 753/4885

“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.