SCHEMBL4837787

SCHEMBL4837787

CC(C)(C)OC(=O)N1CCN(Cc2cccc(CO)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.54
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
VEGFA P15692 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
MGLL Q99685 1/20 0.47
KDM1A O60341 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TBK1 Q9UHD2 1/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 1/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45

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
SCHEMBL4710410 0.90 GLS (0.52) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL29910448 0.90 GLS (0.52) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL13236926 0.90 GLS (0.54) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL16855800 0.89 GLS (0.53) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL24732680 0.89 PRMT6 (0.54) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL2194827 0.87 KDM1A (0.57) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL8540779 0.87 ALDH1A1 (0.63) GLSCHRM2CHRM3ALDH1A1HTT
SCHEMBL4938599 0.87 VEGFA (0.56) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4709921 0.86 GLS (0.52) GLSCHRM2CHRM4CHRM1CHRM3
SCHEMBL14987039 0.86 GLS (0.56) GLSCHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 EP disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10562921-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-3578562-A1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES Anacor Pharmaceuticals, Inc (US) 2019-12-11 EP disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 WO disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
CN-1285594-C Diazacycloalkanes as oxytocin agonists FERRING BV (NL) 2006-11-22 CN disclosed
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2006-07-27 US disclosed
CN-1751050-A Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING BV (NL) 2006-03-22 CN disclosed
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 EP disclosed
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 US disclosed
CN-1543467-A Diazacycloalkanes as oxytocin agonists 2004-11-03 CN disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 EP disclosed
EP-1421087-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2004-05-26 EP disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 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 (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-20050032777-A1 Diazacycloalkanes as oxytocin agonists OXTR, GNRHR, KISS1R GLS 1254/4885CHRM2 408/4885CHRM4 377/4885
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B GLS 2018/4885CHRM2 1465/4885CHRM4 1602/4885
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 GLS 1430/4885CHRM2 811/4885CHRM4 1281/4885
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B GLS 2018/4885CHRM2 1465/4885CHRM4 1602/4885
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 GLS 616/4885CHRM2 3276/4885CHRM4 2363/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 GLS 616/4885CHRM2 3276/4885CHRM4 2363/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 GLS 1430/4885CHRM2 811/4885CHRM4 1281/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 GLS 616/4885CHRM2 3276/4885CHRM4 2363/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 GLS 616/4885CHRM2 3276/4885CHRM4 2363/4885

“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.