SCHEMBL1106086

SCHEMBL1106086

Cc1n[nH]cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6904864 0.78
SCHEMBL2198261 0.78 HSD11B1 (0.31)
SCHEMBL21646570 0.78
SCHEMBL25316524 0.76
SCHEMBL1204756 0.75 CA1 (0.32) CA2
SCHEMBL22802911 0.74
SCHEMBL21719642 0.73
SCHEMBL12221323 0.73
SCHEMBL12221381 0.73
SCHEMBL31503587 0.73 ALDH1A1 (0.39) LMNAALDH1A1CA2POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037342-B2 Substituted eneoxindoles and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-16 US disclosed
US-12037342-B2 Substituted eneoxindoles and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-16 US disclosed
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-02-29 US disclosed
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-02-29 US disclosed
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ALLCRON PHARMA INC. 2023-12-14 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
EP-4262718-A1 DYEING COMPOSITION BASED ON 2-GAMMA-HYDROXYPROPYL-PARA-PHENYLENEDIAMINE AND A PHOSPHORIC SURFACTANT L'OREAL (FR) 2023-10-25 EP disclosed
US-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NISSAN MOTOR CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NISSAN MOTOR CO., LTD. (JP) 2012-05-17 US disclosed
US-8153664-B2 thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer SCHERING CORPORATION (US) 2012-04-10 US disclosed
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-17 US disclosed
WO-2011010222-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-01-27 WO disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-10-30 US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 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 (12 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-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 KCNH2 1411/4885LMNA 874/4885APEX1 3264/4885
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH KCNH2 2301/4885LMNA 1504/4885APEX1 3124/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 KCNH2 3800/4885LMNA 106/4885APEX1 2993/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A KCNH2 4069/4885LMNA 2503/4885APEX1 2137/4885
US-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM1, GRM4, GRM3 KCNH2 1226/4885LMNA 4660/4885APEX1 3735/4885
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 KCNH2 3875/4885LMNA 1312/4885APEX1 657/4885
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ABL1, MCL1, ABL2 KCNH2 4057/4885LMNA 2691/4885APEX1 3957/4885
US-12037342-B2 Substituted eneoxindoles and uses thereof HIPK1, HPGDS, HIPK3 KCNH2 4815/4885LMNA 3802/4885APEX1 265/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT KCNH2 4834/4885LMNA 2516/4885APEX1 1234/4885
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, ROCK2 KCNH2 4508/4885LMNA 3205/4885APEX1 1895/4885
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 KCNH2 4802/4885LMNA 1670/4885APEX1 1198/4885
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B KCNH2 2371/4885LMNA 1243/4885APEX1 318/4885

“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.