SCHEMBL2118099

SCHEMBL2118099

CC(C)(C)OC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
NR1H2 P55055 1/20 0.51
USP30 Q70CQ3 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
ROCK1 Q13464 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
JAK2 O60674 3/20 0.38
JAK3 P52333 3/20 0.38
PTK2 Q05397 3/20 0.38
DDB1 Q16531 1/20 0.37

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
SCHEMBL587184 0.93 ESR2 (0.62) ESR2NR1H2USP30NPC1RAB9A
SCHEMBL29676899 0.93 ESR2 (0.62) ESR2NR1H2USP30NPC1RAB9A
SCHEMBL2515678 0.93 NR1H2 (0.61) ESR2NR1H2USP30NPC1RAB9A
SCHEMBL29964782 0.93 NR1H2 (0.61) ESR2NR1H2USP30NPC1RAB9A
SCHEMBL19638994 0.87 ESR2 (0.52) ESR2NR1H2USP30NPC1RAB9A
SCHEMBL3429990 0.86 ESR2 (0.54) ESR2NR1H2NPC1RAB9APRMT5
SCHEMBL2589826 0.86 ROCK1 (0.48) ESR2NR1H2USP30PRMT5WDR77
SCHEMBL594429 0.83 CHRM4 (0.45) ESR2NR1H2USP30PRMT5WDR77
SCHEMBL868675 0.83 USP30 (0.43) ESR2USP30PRMT5WDR77BACE1
SCHEMBL31167558 0.83 USP30 (0.43) ESR2USP30PRMT5WDR77BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-11 US disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 EP disclosed
EP-2937344-B1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LTD (GB) 2017-08-23 EP disclosed
EP-2937344-B1 PYRIDINYL- AND PYRAZINYL -METHYLOXY - ARYL DERIVATIVES USEFUL AS INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) GLAXO GROUP LTD (GB) 2017-08-23 EP disclosed
US-20160355505-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-12-08 US disclosed
US-20160355505-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-12-08 US disclosed
US-20160355505-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-12-08 US disclosed
US-9447074-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-09-20 US disclosed
US-7696193-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-13 US disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 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 (7 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B ESR2 573/4885NR1H2 107/4885USP30 3084/4885
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor HSP90AB1, HSP90AA1, HSP90AB2P ESR2 2390/4885NR1H2 637/4885USP30 1042/4885
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor HSP90AB1, HSP90AA1, HSP90AB2P ESR2 2390/4885NR1H2 637/4885USP30 1042/4885
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 ESR2 1181/4885NR1H2 665/4885USP30 2922/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B ESR2 2190/4885NR1H2 963/4885USP30 3343/4885
US-20160355505-A1 NOVEL COMPOUNDS SYK, NFATC1, BTK ESR2 3007/4885NR1H2 1423/4885USP30 4043/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B ESR2 2016/4885NR1H2 863/4885USP30 3891/4885

“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.