SCHEMBL6768070

SCHEMBL6768070

CC(C)CCc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
HTR2A P28223 1/20 0.50
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
PYCR1 P32322 1/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
EPHX1 P07099 1/20 0.39
AOC3 Q16853 1/20 0.38

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
SCHEMBL8080450 0.87 HTT (0.41) AOC3
SCHEMBL8960092 0.86 SIGMAR1 (0.47) TAAR1HTR2AKMT2AHSP90AA1SIGMAR1
SCHEMBL12968214 0.85 SIGMAR1 (0.46) TAAR1HTR2ASIGMAR1LMNAMAPT
SCHEMBL18425321 0.84 LMNA (0.46) TAAR1HTR2AKMT2AHSP90AA1SIGMAR1
SCHEMBL21248200 0.83 SIGMAR1 (0.45) TAAR1HTR2ASIGMAR1LMNA
SCHEMBL10187975 0.82 TAAR1 (0.52) TAAR1HTR2AKMT2AHSP90AA1SIGMAR1
SCHEMBL1624417 0.82 TAAR1 (0.47) TAAR1HTR2AKMT2AHSP90AA1SIGMAR1
SCHEMBL4632610 0.81 TSHR (0.40) AOC3
SCHEMBL4819998 0.80 LMNA (0.42) TAAR1HTR2AKMT2AHSP90AA1SIGMAR1
SCHEMBL9045813 0.78 PTGS1 (0.45) HTR2ALMNAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
EP-4134076-A1 THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION Redhill Biopharma Ltd. (IL) 2023-02-15 EP disclosed
US-11090325-B2 Compositions for treating ebola virus infection REDHILL BIOPHARMA LTD. (IL) 2021-08-17 US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION REDHILL BIOPHARMA LTD (IL) 2020-05-21 US disclosed
WO-2020012403-A1 AN IMPROVED PROCESS FOR DIASTER-EOSELECTIVE SYNTHESIS OF VICINAL DIAMINES Piramal Enterprises Limited (IN) 2020-01-16 WO disclosed
WO-2019183369-A1 NEURITE OUTGROWTH PROMOTERS AND USES THEREOF UNIVERSITY OF MIAMI (US) 2019-09-26 WO disclosed
US-20170258805-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-09-14 US disclosed
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
US-20140291659-A1 DIOXAANTHANTHRENE COMPOUND, LAMINATED STRUCTURE AND FORMATION METHOD THEREOF, AND ELECTRONIC DEVICE AND MANUFACTURING METHOD THEREOF SONY CORPORATION (JP) 2014-10-02 US disclosed
EP-2767540-A1 DIOXAANTHANTHRENE-BASED COMPOUND, LAMINATED STRUCTURE AND MOLDING METHOD THEREOF, AND ELECTRONIC DEVICE AND PRODUCTION METHOD THEREOF Sony Corporation (JP) 2014-08-20 EP disclosed
CN-103874704-A Dioxaanthanthrene-based compound, laminated structure and molding method thereof, and electronic device and production method thereof SONY CORP 2014-06-18 CN disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 WO disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 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 (4 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-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 TAAR1 1473/4885HTR2A 2326/4885KMT2A 1739/4885
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION NEFM, EIF2AK2, IRF3 TAAR1 3408/4885HTR2A 4479/4885KMT2A 4481/4885
US-20170258805-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE UGDH, GALE, UGGT1 TAAR1 2781/4885HTR2A 2679/4885KMT2A 652/4885
US-11090325-B2 Compositions for treating ebola virus infection NEFM, EIF2AK2, IRF3 TAAR1 3408/4885HTR2A 4479/4885KMT2A 4481/4885

“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.