SCHEMBL7426526

SCHEMBL7426526

CC(C)(C)OCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ EP300 Q09472 4/20 0.36
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ GNAO1 P09471 2/20 0.33
▸ GBA1 P04062 1/20 0.32
▸ GNAI3 P08754 1/20 0.32
▸ GNAI1 P63096 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL12395690 0.87 SLC6A1 (0.39) TDP1ALDH1A1SLC6A2SLC6A4KCNH2
SCHEMBL21667900 0.87 SLC6A1 (0.39) TDP1ALDH1A1SLC6A2SLC6A4KCNH2
SCHEMBL21667896 0.87 SLC6A1 (0.39) TDP1ALDH1A1SLC6A2SLC6A4KCNH2
SCHEMBL16109561 0.83 ALDH1A1 (0.50) ALDH1A1
SCHEMBL685573 0.83 — —
SCHEMBL7419450 0.80 GNAO1 (0.35) TDP1ALDH1A1SLC6A4GNAO1GBA1
SCHEMBL7741403 0.78 ALDH1A1 (0.46) ALDH1A1
SCHEMBL11930045 0.78 ALDH1A1 (0.46) ALDH1A1
SCHEMBL18355381 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL30232791 0.77 TDP1 (0.38) TDP1EP300SLC6A2SLC6A4HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 — — US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — US disclosed
US-10407423-B2 Compounds as inhibitors of DNA methyltransferases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2019-09-10 — — US disclosed
US-20190127354-A1 2,4,6,7-TETRASUBSTITUTED QUINOLINE COMPOUNDS AS INHIBITORS OF DNA METHYLTRANSFERASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2019-05-02 — — US disclosed
US-9901567-B2 Substituted CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2018-02-27 — — US disclosed
US-9901567-B2 Substituted CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2018-02-27 — — US disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 — — US disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 — — US disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 — — US disclosed
US-20150216844-A1 SUBSTITUTED CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA B.V. (NL) 2015-08-06 — — US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 — — US disclosed
US-20110065767-A1 Substituted CC-1065 Analogs and Their Conjugates SYNTARGA B.V. (NL) 2011-03-17 — — US disclosed
US-20110065767-A1 Substituted CC-1065 Analogs and Their Conjugates SYNTARGA B.V. (NL) 2011-03-17 — — US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 — — US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 — — US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 — — US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 — — US disclosed
US-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates Georg-August-Universität Göttingen Stiftung öffentlichen Rechts (ohne Bereich Humanmedizin) (DE) 2009-12-24 — — US disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 — — EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 — — WO 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-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates PCNA, DCK, BAD TDP1 175/4885ALDH1A1 2365/4885EP300 4040/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 TDP1 2831/4885ALDH1A1 1943/4885EP300 1433/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 TDP1 4530/4885ALDH1A1 1649/4885EP300 1859/4885
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B TDP1 248/4885ALDH1A1 576/4885EP300 2765/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 TDP1 4560/4885ALDH1A1 1821/4885EP300 1868/4885
US-20150216844-A1 SUBSTITUTED CC-1065 ANALOGS AND THEIR CONJUGATES PCNA, TOP1, TOP2B TDP1 230/4885ALDH1A1 2231/4885EP300 3135/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B TDP1 771/4885ALDH1A1 1052/4885EP300 2483/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B TDP1 248/4885ALDH1A1 576/4885EP300 2765/4885
US-10407423-B2 Compounds as inhibitors of DNA methyltransferases DNMT3B, DNMT3A, DNMT1 TDP1 200/4885ALDH1A1 367/4885EP300 130/4885
US-20190127354-A1 2,4,6,7-TETRASUBSTITUTED QUINOLINE COMPOUNDS AS INHIBITORS OF DNA METHYLTRANSFERASES DNMT3B, DNMT1, DNMT3A TDP1 420/4885ALDH1A1 308/4885EP300 403/4885
US-20110065767-A1 Substituted CC-1065 Analogs and Their Conjugates PCNA, TOP1, TOP2B TDP1 230/4885ALDH1A1 2231/4885EP300 3135/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN TDP1 1027/4885ALDH1A1 4021/4885EP300 2559/4885

“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.

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