SCHEMBL10105672

SCHEMBL10105672

CC(C)C(=O)OC(C)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALOX5 P09917 1/20 0.35
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL18353906 0.91 MEN1 (0.33) TSHRALOX5
SCHEMBL30457985 0.89 EPHX1 (0.40) TSHR
SCHEMBL30457924 0.89 EPHX1 (0.40) TSHR
SCHEMBL2381945 0.89 EPHX1 (0.40) TSHR
SCHEMBL19209623 0.86 ALOX5 (0.38) TSHRALOX5CHRNB2CHRNB4CHRNA3
SCHEMBL8295291 0.83 TSHR (0.35) TSHRALOX5CHRNB2CHRNB4CHRNA3
SCHEMBL19574085 0.80 EPHX2 (0.32)
SCHEMBL8249586 0.78 SLC7A5 (0.39) TSHRALOX5
SCHEMBL1157143 0.77
SCHEMBL1157146 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116194144-A Prodrugs of phosphoramide nucleotide analogs and pharmaceutical uses thereof 吉利德科学公司 2023-05-30 CN disclosed
US-8362248-B2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20100113480-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS ARENA PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113479-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS ARENA PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 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 (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-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PC, GPR119, PNPO TSHR 1805/4885ALOX5 678/4885CHRNB2 4756/4885
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PLPBP, PNPO, PDXK TSHR 1399/4885ALOX5 347/4885CHRNB2 4279/4885
US-20100113479-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS GPR119, GCGR, GIPR TSHR 21/4885ALOX5 2316/4885CHRNB2 1800/4885
US-20100113480-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS GPR119, GCGR, GIPR TSHR 21/4885ALOX5 2316/4885CHRNB2 1800/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 TSHR 1418/4885ALOX5 322/4885CHRNB2 3419/4885
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R TSHR 450/4885ALOX5 2125/4885CHRNB2 1440/4885

“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.