SCHEMBL12113151

SCHEMBL12113151

COC1(CN)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.43
EPHX1 P07099 1/20 0.41
NAMPT P43490 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CTSK P43235 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL31566582 0.91 USP2 (0.41) USP2SMN1; SMN2EPHX2HPGDOPRD1
SCHEMBL17447773 0.88 USP2 (0.44) USP2SMN1; SMN2EPHX2EPHX1NAMPT
SCHEMBL16123523 0.88 USP2 (0.46) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL19156954 0.86 USP2 (0.47) USP2SMN1; SMN2EPHX2EPHX1NAMPT
SCHEMBL2943334 0.86 USP2 (0.47) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL6896206 0.86 USP2 (0.47) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL5523316 0.85 USP2 (0.44) USP2SMN1; SMN2EPHX2EPHX1NAMPT
SCHEMBL26233896 0.84 USP2 (0.41) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL15742968 0.83 USP2 (0.45) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL18418212 0.82 USP2 (0.50) USP2SMN1; SMN2EPHX2EPHX1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227482-B2 Compounds and compositions for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-18 US disclosed
EP-4339192-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER The Regents of the University of California (US) 2024-03-20 EP disclosed
EP-3478284-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-10-04 EP disclosed
EP-3515916-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-20230150942-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-11560356-B2 Compounds and compositions for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-01-24 US disclosed
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
EP-4056562-A1 HETEROCYCLIC INHIBITORS OF BRUTON'S TYROSINE KINASE Merck Patent GmbH (DE) 2022-09-14 EP disclosed
CN-109661229-B Compounds and compositions for the treatment of cancer 加利福尼亚大学董事会 2022-06-28 CN disclosed
EP-2718270-B1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2022-04-27 EP disclosed
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-9580449-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2017-02-28 US disclosed
US-20150259363-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-9073947-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2015-07-07 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2014-06-12 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20070185106-A1 Pyrrole derivatives as gonadotropin releasing hormone (gnrh) antagonists ASTRAZENECA AB (SE) 2007-08-09 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 (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-20230150942-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TP53, HCCS, CFTR USP2 3690/4885SMN1; SMN2 3421/4885EPHX2 2802/4885
US-11560356-B2 Compounds and compositions for the treatment of cancer TP53, HCCS, CFTR USP2 3690/4885SMN1; SMN2 3421/4885EPHX2 2802/4885
US-20070185106-A1 Pyrrole derivatives as gonadotropin releasing hormone (gnrh) antagonists GNRHR, PRLHR, GHRHR USP2 3195/4885SMN1; SMN2 4631/4885EPHX2 3548/4885
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK USP2 3501/4885SMN1; SMN2 4722/4885EPHX2 1690/4885
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPN21, PTPN22, PTPN5 USP2 1866/4885SMN1; SMN2 430/4885EPHX2 2331/4885
US-12227482-B2 Compounds and compositions for the treatment of cancer TP53, HCCS, CFTR USP2 3690/4885SMN1; SMN2 3421/4885EPHX2 2802/4885
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 USP2 4129/4885SMN1; SMN2 35/4885EPHX2 1230/4885
US-20150259363-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK USP2 3501/4885SMN1; SMN2 4722/4885EPHX2 1690/4885
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK USP2 3501/4885SMN1; SMN2 4722/4885EPHX2 1690/4885

“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.