SCHEMBL403605

SCHEMBL403605

CC(C)(C)C1(C(C)(C)C)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 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
SCHEMBL14749875 0.89 CXCR4 (0.32)
SCHEMBL18159240 0.84
SCHEMBL14749867 0.82
SCHEMBL18531894 0.75
SCHEMBL12770345 0.73 OPRM1 (0.30) OPRM1
SCHEMBL1587067 0.71 OPRM1 (0.33) OPRM1KDM4EKMT2A
SCHEMBL21360188 0.71
SCHEMBL16451669 0.71 KDM4E (0.32) KDM4EKMT2A
SCHEMBL19966668 0.71
SCHEMBL15491810 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230146782-A1 DEOXYCHOLIC ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF HUANG, QIANG (CN) 2023-05-11 US disclosed
US-20230146782-A1 DEOXYCHOLIC ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF HUANG, QIANG (CN) 2023-05-11 US disclosed
US-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 US disclosed
US-11174271-B2 6-membered uracil isosteres CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-16 US disclosed
US-11014924-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-05-25 US disclosed
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-12-08 US disclosed
US-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-11-26 US disclosed
US-20200039966-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-02-06 US disclosed
US-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US disclosed
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-20070244055-A1 Conjugates useful in the treatment of prostate cancer BRADY STEPHEN F 2007-10-18 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-20070129309-A1 Conjugates useful in the treatment of prostate cancer BRADY STEPHEN F 2007-06-07 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 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 (14 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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C OPRM1 33/4885KDM4E 1143/4885KMT2A 394/4885
US-11174271-B2 6-membered uracil isosteres UNG, DUT, DPYD OPRM1 3125/4885KDM4E 1704/4885KMT2A 2924/4885
US-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, TYMP, DPYD OPRM1 4224/4885KDM4E 1424/4885KMT2A 1934/4885
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD OPRM1 4224/4885KDM4E 1424/4885KMT2A 1934/4885
US-20090062297-A1 Hydroxyalkylarylamide Derivatives AADAC, HDAC5, HDAC3 OPRM1 4781/4885KDM4E 313/4885KMT2A 36/4885
US-11014924-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD OPRM1 4224/4885KDM4E 1424/4885KMT2A 1934/4885
US-20200039966-A1 URACIL CONTAINING COMPOUNDS UNG, DPYD, DUT OPRM1 3478/4885KDM4E 1571/4885KMT2A 2441/4885
US-20070129309-A1 Conjugates useful in the treatment of prostate cancer BPHL, KLK3, DNPEP OPRM1 1966/4885KDM4E 1171/4885KMT2A 154/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT OPRM1 3478/4885KDM4E 1571/4885KMT2A 2441/4885
US-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 OPRM1 4716/4885KDM4E 202/4885KMT2A 27/4885
US-20070244055-A1 Conjugates useful in the treatment of prostate cancer BPHL, KLK3, DNPEP OPRM1 1518/4885KDM4E 1500/4885KMT2A 213/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 OPRM1 4385/4885KDM4E 181/4885KMT2A 121/4885
US-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF SLC6A13, SLC6A11, SLC6A1 OPRM1 174/4885KDM4E 520/4885KMT2A 574/4885
US-20230146782-A1 DEOXYCHOLIC ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SLC10A1, NR1H4, CYP7A1 OPRM1 4083/4885KDM4E 4236/4885KMT2A 4605/4885

“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.