SCHEMBL1204992

SCHEMBL1204992

CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
ASGR1 P07306 1/20 0.42
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM4D Q6B0I6 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
PDE10A Q9Y233 1/20 0.32
KAT6A Q92794 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
BUB1 O43683 1/20 0.31
USP30 Q70CQ3 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL1958715 1.00 HSD11B1 (0.43) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL1204990 1.00 HSD11B1 (0.43) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL190837 0.92 HSD11B1 (0.47) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL30634792 0.89 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL25512734 0.89 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL15342729 0.89 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL25512736 0.89 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL31383834 0.89 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL21264293 0.89 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3
SCHEMBL28804053 0.87 HSD11B1 (0.44) HSD11B1ASGR1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
EP-2539345-B1 4-[CYCLOALKYLOXY(HETERO)ARYLAMINO]-THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
EP-2539345-B1 4-[CYCLOALKYLOXY(HETERO)ARYLAMINO]-THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8399461-B2 Bicyclic heterocycles, medicaments containing said compounds, use thereof, and method for production of same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-19 US disclosed
US-8399461-B2 Bicyclic heterocycles, medicaments containing said compounds, use thereof, and method for production of same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-19 US disclosed
US-8399461-B2 Bicyclic heterocycles, medicaments containing said compounds, use thereof, and method for production of same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-19 US disclosed
EP-2539345-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO]THIENO [2, 3 - D]PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
EP-1921070-A1 Bicyclic heterocycles, medicaments comprising them, their use and process for their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-05-14 EP disclosed
US-20080045566-A1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2008-02-21 US disclosed
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2006-11-30 US disclosed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US disclosed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 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 (5 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 HSD11B1 1156/4885ASGR1 1092/4885CHRM2 2225/4885
US-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD HSD11B1 346/4885ASGR1 3516/4885CHRM2 568/4885
US-20080045566-A1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES ROCK1, ROCK2, RHOA HSD11B1 78/4885ASGR1 4060/4885CHRM2 12/4885
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 HSD11B1 242/4885ASGR1 4318/4885CHRM2 1026/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD HSD11B1 346/4885ASGR1 3516/4885CHRM2 568/4885

“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.