SCHEMBL9945952

SCHEMBL9945952

CC(C)Oc1ccc(F)cc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
ACLY P53396 1/20 0.37
CSNK2A1 P68400 2/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
JAK2 O60674 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL11890404 0.86 HTR2A (0.39) KCNH2HTR2ASLC6A4MEN1MAPT
SCHEMBL16959139 0.85 KCNH2 (0.38) KCNH2HTR2ASLC6A4TMEM97SIGMAR1
SCHEMBL9945955 0.84 RXRA (0.41) KCNH2HTR2ASLC6A4TMEM97SIGMAR1
SCHEMBL8119851 0.82 NFE2L2 (0.43) KCNH2HTR2ASLC6A4ALDH1A1
SCHEMBL16954897 0.80 KCNH2 (0.35) KCNH2HTR2ASLC6A4TMEM97SIGMAR1
SCHEMBL5745812 0.79 MEN1 (0.50) KCNH2SLC6A4TMEM97SIGMAR1ACLY
SCHEMBL11890399 0.78 L3MBTL1 (0.43) KCNH2HTR2ASLC6A4MAPTL3MBTL1
SCHEMBL16954024 0.78 KCNH2 (0.36) KCNH2HTR2ASLC6A4TMEM97SIGMAR1
SCHEMBL8988166 0.78 LMNA (0.38) CSNK2A1MAPTHPGDALDH1A1
SCHEMBL12569380 0.78 SLC6A4 (0.41) KCNH2HTR2ASLC6A4TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020263967-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 WO disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KCNH2 3067/4885HTR2A 7/4885SLC6A4 83/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 KCNH2 2439/4885HTR2A 4562/4885SLC6A4 4692/4885
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP KCNH2 3407/4885HTR2A 3209/4885SLC6A4 3857/4885
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP KCNH2 2428/4885HTR2A 2572/4885SLC6A4 3566/4885

“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.