SCHEMBL7910108

SCHEMBL7910108

CC(C)C(=O)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
PIK3CD O00329 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 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
SCHEMBL10308344 0.82 KDM4E (0.33) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL7917694 0.80 PIK3CD (0.46) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL10212340 0.78 PIK3CD (0.31) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL22253948 0.78 PIK3CD (0.31) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL18264641 0.78 CYP2C19 (0.32) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL10212341 0.78 PIK3CD (0.31) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL19059089 0.78 PIK3CD (0.31) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL10212337 0.78 PIK3CD (0.31) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL17449479 0.78 PIK3CD (0.35) HMGCRCHRM1TBXA2RADRA1APIK3CD
SCHEMBL11161149 0.76 PIK3CD (0.39) HMGCRCHRM1TBXA2RADRA1APIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-08-17 US disclosed
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 US disclosed
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2018-07-24 US disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-9988420-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2018-06-05 US disclosed
US-9981972-B2 N-hydroxy bicyclic hydantoin carbamates as tools for identification of serine hydrolase targets ABIDE THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed
US-RE46757-E1 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2018-03-20 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070117827-A1 Compositions for affecting weight loss U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2007-05-24 US disclosed
US-20070117827-A1 Compositions for affecting weight loss U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2007-05-24 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 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 (11 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-20070117827-A1 Compositions for affecting weight loss MC4R, MC3R, MC5R HMGCR 1221/4885CHRM1 255/4885TBXA2R 1480/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HMGCR 3085/4885CHRM1 4864/4885TBXA2R 3960/4885
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD PYM1, GPR119, GLP1R HMGCR 1147/4885CHRM1 42/4885TBXA2R 3633/4885
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 HMGCR 2594/4885CHRM1 1644/4885TBXA2R 2867/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 HMGCR 4344/4885CHRM1 6/4885TBXA2R 1895/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A HMGCR 692/4885CHRM1 1068/4885TBXA2R 259/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HMGCR 3085/4885CHRM1 4864/4885TBXA2R 3960/4885
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT HTR6, TPH2, TPH1 HMGCR 3092/4885CHRM1 390/4885TBXA2R 1403/4885
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 HMGCR 4569/4885CHRM1 1784/4885TBXA2R 119/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 HMGCR 4458/4885CHRM1 3986/4885TBXA2R 1668/4885
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament MAVS, ZC3HAV1, SARS1 HMGCR 1448/4885CHRM1 3552/4885TBXA2R 3325/4885

“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.