SCHEMBL1057481

SCHEMBL1057481

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
ASGR1 P07306 1/20 0.35
KDM4D Q6B0I6 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
USP30 Q70CQ3 1/20 0.31
PDE10A Q9Y233 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
BUB1 O43683 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL1057478 1.00 HSD11B1 (0.41) HSD11B1ASGR1KDM4DNFKB1NFKB2
SCHEMBL12548366 1.00 HSD11B1 (0.41) HSD11B1ASGR1KDM4DNFKB1NFKB2
SCHEMBL190837 0.89 HSD11B1 (0.47) HSD11B1ASGR1KDM4DNFKB1NFKB2
SCHEMBL28804053 0.84 HSD11B1 (0.44) HSD11B1ASGR1KDM4DNFKB1NFKB2
SCHEMBL28804055 0.84 HSD11B1 (0.44) HSD11B1ASGR1KDM4DNFKB1NFKB2
SCHEMBL228179 0.83 HSD11B1 (0.46) HSD11B1ASGR1KDM4DPDE10ACHRM2
SCHEMBL25909044 0.83 HSD11B1 (0.42) HSD11B1ASGR1KDM4DNFKB1NFKB2
SCHEMBL23842059 0.82 HSD11B1 (0.43) HSD11B1ASGR1KDM4DNFKB1NFKB2
SCHEMBL1204992 0.82 HSD11B1 (0.43) HSD11B1ASGR1KDM4DNFKB1NFKB2
SCHEMBL1958715 0.82 HSD11B1 (0.43) HSD11B1ASGR1KDM4DNFKB1NFKB2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691814-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-04-08 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110136805-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 US disclosed
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 US disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 WO disclosed
EP-1474425-B9 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2008-07-02 EP disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 US disclosed
EP-1707566-A1 Deazapurines and uses thereof Eisai Co., Ltd. (JP) 2006-10-04 EP disclosed
EP-1474425-B1 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-20050124649-A1 Deazapurines and uses thereof EISAI CO., LTD (JP) 2005-06-09 US disclosed
EP-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 EP disclosed
US-20040186127-A1 Novel deazapurines and uses thereof EISAI CO., LTD. (JP) 2004-09-23 US disclosed
WO-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 WO disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 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 (6 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 HSD11B1 3315/4885ASGR1 681/4885KDM4D 991/4885
US-20110136805-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME BPHL, CYP11B2, CYP11B1 HSD11B1 338/4885ASGR1 4542/4885KDM4D 4307/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 HSD11B1 3331/4885ASGR1 691/4885KDM4D 999/4885
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A HSD11B1 682/4885ASGR1 4142/4885KDM4D 387/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 HSD11B1 831/4885ASGR1 2605/4885KDM4D 597/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP HSD11B1 1334/4885ASGR1 2662/4885KDM4D 1403/4885

“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.