SCHEMBL2633259

SCHEMBL2633259

COc1ccc2[nH]cc(CC(C)=O)c2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.79
GPR84 Q9NQS5 2/20 0.68
MTNR1A P48039 7/20 0.66
MTNR1B P49286 5/20 0.66
KMT2A Q03164 3/20 0.66
CYP2D6 P10635 2/20 0.66
HTR2B P41595 2/20 0.66
CYP1A2 P05177 2/20 0.66
HTR1A P08908 2/20 0.66
BLM P54132 2/20 0.66
PMP22 Q01453 2/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP1A1 P04798 1/20 0.66
MPO P05164 1/20 0.66
CYP3A4 P08684 1/20 0.66
HPGD P15428 1/20 0.66
NQO2 P16083 1/20 0.66
RAB9A P51151 1/20 0.66
CYP1B1 Q16678 1/20 0.66

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
SCHEMBL674415 0.88 KDM4E (1.00) KDM4EGPR84MTNR1AMTNR1BKMT2A
SCHEMBL2686551 0.87 KDM4E (0.77) KDM4EGPR84MTNR1AMTNR1BKMT2A
SCHEMBL1461935 0.87 KDM4E (0.77) KDM4EGPR84MTNR1AMTNR1BKMT2A
SCHEMBL6945002 0.87 KDM4E (0.77) KDM4EGPR84MTNR1AMTNR1BKMT2A
SCHEMBL1395687 0.87 KDM4E (0.77) KDM4EGPR84MTNR1AMTNR1BKMT2A
SCHEMBL14665122 0.86 KDM4E (0.75) KDM4EGPR84MTNR1AMTNR1BKMT2A
SCHEMBL2625194 0.86 KDM4E (0.75) KDM4EGPR84MTNR1AMTNR1BKMT2A
Hydrochloric Acid SCHEMBL5013119 0.86 KDM4E (0.75) KDM4EGPR84MTNR1AMTNR1BKMT2A
SCHEMBL4889276 0.86 MTNR1A (0.70) KDM4EGPR84MTNR1AMTNR1BKMT2A
SCHEMBL11746973 0.86 KDM4E (0.80) KDM4EGPR84MTNR1AMTNR1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
US-20210348139-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-11-11 US disclosed
US-20200123512-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-04-23 US disclosed
US-10544402-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS INC. (US) 2020-01-28 US disclosed
EP-2828385-B1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS CODEXIS INC (US) 2018-02-07 EP disclosed
US-20170283781-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-10-05 US disclosed
US-20170283781-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-10-05 US disclosed
US-9708588-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2017-07-18 US disclosed
US-9708588-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2017-07-18 US disclosed
US-20160289649-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-10-06 US disclosed
US-20150072383-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-03-12 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
EP-2260835-A2 Composition for proteasome inhibition Proteolix, Inc. (US) 2010-12-15 EP disclosed
EP-2261236-A2 Composition for proteasome inhibition Proteolix, Inc. (US) 2010-12-15 EP disclosed
WO-2006063154-A1 COMPOSITION FOR PROTEASOME INHIBITION PROTEOLIX, INC. (US) 2006-06-15 WO disclosed
WO-2005111008-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-24 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 (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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KDM4E 3330/4885GPR84 4041/4885MTNR1A 4258/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 KDM4E 2512/4885GPR84 4585/4885MTNR1A 2726/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KDM4E 3330/4885GPR84 4041/4885MTNR1A 4258/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 KDM4E 3184/4885GPR84 1604/4885MTNR1A 1769/4885

“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.