SCHEMBL9100028

SCHEMBL9100028

Cc1ccc(C(C)C)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
TRPA1 O75762 2/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2B P41595 2/20 0.37
CHRM1 P11229 1/20 0.37
ADRA1A P35348 1/20 0.37
GPR55 Q9Y2T6 1/20 0.36
EIF4A3 P38919 1/20 0.36
HPGD P15428 3/20 0.32
ANPEP P15144 1/20 0.32
DPP4 P27487 1/20 0.32
PTGS1 P23219 2/20 0.32
CACNA1C Q13936 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL12173269 0.87 EIF4A3 (0.41) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL22183998 0.83 HPGD (0.32) HPGDPDE2A
SCHEMBL12604305 0.83 LMNA (0.35) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL15247293 0.83 LMNA (0.40) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL10544542 0.80 HTT (0.33) HPGD
SCHEMBL12604300 0.79 LMNA (0.35) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL17517184 0.79 LMNA (0.35) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL13005034 0.79 GABRA1 (0.43) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL2738307 0.79 GABRA1 (0.48) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL4547916 0.78 GABRA1 (0.46) LMNASLC6A2HTR2BHPGDANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 US disclosed
WO-2024026433-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-02-01 WO disclosed
US-11802127-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors PFIZER INC. (US) 2023-10-31 US disclosed
US-11760775-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. 2023-09-19 US disclosed
US-11691973-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors PFIZER INC. (US) 2023-07-04 US disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
EP-3390357-B1 BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
US-20100317677-A1 Methods of Treating a Microbial Infection by Modulating RNase-L Expression and/or Activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
US-7816348-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-19 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-7323567-B2 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-01-29 US disclosed
US-20070225317-A1 RSV POLYMERASE INHIBITORS SIMONEAU BRUNO 2007-09-27 US disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-5510544-A Fluorinated terpene compounds ENVIRONMENTAL SOLVENTS CORPORATION (US) 1996-04-23 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 (15 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 LMNA 4192/4885TRPA1 4872/4885SLC6A2 4733/4885
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 LMNA 3535/4885TRPA1 4878/4885SLC6A2 4355/4885
US-20070219176-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E LMNA 3643/4885TRPA1 4809/4885SLC6A2 4210/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A LMNA 744/4885TRPA1 4635/4885SLC6A2 4689/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 LMNA 2312/4885TRPA1 345/4885SLC6A2 3775/4885
US-20100317677-A1 Methods of Treating a Microbial Infection by Modulating RNase-L Expression and/or Activity RNASEL, RNASE1, RNASEH1 LMNA 1520/4885TRPA1 3958/4885SLC6A2 4642/4885
US-11691973-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors NRAS, KRAS, MAPK1 LMNA 3359/4885TRPA1 4235/4885SLC6A2 2030/4885
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES TLR7, MALT1, PNPO LMNA 1676/4885TRPA1 3274/4885SLC6A2 4329/4885
US-11802127-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors NRAS, KRAS, MAPK1 LMNA 3359/4885TRPA1 4235/4885SLC6A2 2030/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 LMNA 4249/4885TRPA1 4008/4885SLC6A2 4652/4885
US-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, CCNY, RTF1 LMNA 3437/4885TRPA1 4883/4885SLC6A2 4214/4885
US-20070225317-A1 RSV POLYMERASE INHIBITORS POLR2E, POLR2H, POLR2A LMNA 2603/4885TRPA1 4537/4885SLC6A2 2126/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 LMNA 4466/4885TRPA1 4040/4885SLC6A2 415/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 LMNA 2203/4885TRPA1 4884/4885SLC6A2 4651/4885
US-11760775-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 LMNA 3616/4885TRPA1 4881/4885SLC6A2 3743/4885

“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.