SCHEMBL12384352

SCHEMBL12384352

Cc1nccn1CC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.56
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALPL P05186 2/20 0.38
ALPG P10696 2/20 0.38
ALPI P09923 1/20 0.38
PLAA Q9Y263 1/20 0.38
KCNH2 Q12809 2/20 0.38
GFER P55789 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL24430222 0.84 FDPS (0.58) FDPSKMT2AALDH1A1POLBTSHR
SCHEMBL20254251 0.84 FDPS (0.50) FDPSKMT2AALDH1A1POLBTSHR
SCHEMBL18010007 0.83 FDPS (0.53) FDPSKMT2AALDH1A1POLBTSHR
SCHEMBL4235515 0.83 FDPS (0.62) FDPSKMT2AALDH1A1POLBTSHR
SCHEMBL3836216 0.82 KMT2A (0.52) FDPSKMT2AALDH1A1POLBTSHR
SCHEMBL6521463 0.81 FDPS (0.54) FDPSKMT2AALDH1A1POLBTSHR
SCHEMBL11212719 0.79 ALDH1A1 (0.58) FDPSKMT2AALDH1A1POLBTSHR
SCHEMBL26523553 0.78 FDPS (0.51) FDPSKMT2AALDH1A1POLBTSHR
SCHEMBL13739966 0.77 TLR8 (0.52) FDPSKMT2AALDH1A1POLBTSHR
SCHEMBL4772963 0.77 KMT2A (0.59) FDPSKMT2AALDH1A1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-04-07 US disclosed
US-11028078-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-08 US disclosed
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 US disclosed
EP-3689931-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT Koei Chemical Company, Limited (JP) 2020-08-05 EP disclosed
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 US disclosed
US-20180021723-A1 GAS TREATING SOLUTIONS CONTAINING IMIDAZOLE-AMINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2018-01-25 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
WO-2014100454-A1 ENZYMATIC CHEMICAL PROCESSING IN A FIBER CONDUIT APPARATUS MASSINGILL JOHN LEE (US) 2014-06-26 WO disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
WO-2014047195-A1 USE OF A FIBER CONDUIT CONTACTOR FOR METAL AND/OR METALLOID EXTRACTION CHEMTOR, LP (US) 2014-03-27 WO disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 FDPS 2950/4885KMT2A 2639/4885ALDH1A1 4469/4885
US-20190040046-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR FDPS 2802/4885KMT2A 3182/4885ALDH1A1 1448/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 FDPS 769/4885KMT2A 1997/4885ALDH1A1 1168/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 FDPS 2950/4885KMT2A 2639/4885ALDH1A1 4469/4885
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 FDPS 1333/4885KMT2A 3683/4885ALDH1A1 428/4885
US-11028078-B2 Itraconazole analogs and use thereof SHH, GLI1, KDR FDPS 2802/4885KMT2A 3182/4885ALDH1A1 1448/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 FDPS 2132/4885KMT2A 2606/4885ALDH1A1 4051/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 FDPS 2132/4885KMT2A 2606/4885ALDH1A1 4051/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 FDPS 2132/4885KMT2A 2606/4885ALDH1A1 4051/4885
US-20180021723-A1 GAS TREATING SOLUTIONS CONTAINING IMIDAZOLE-AMINE COMPOUNDS NISCH, INMT, GMPS FDPS 2696/4885KMT2A 770/4885ALDH1A1 2670/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 FDPS 539/4885KMT2A 4593/4885ALDH1A1 961/4885

“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.