SCHEMBL3740942

SCHEMBL3740942

CCCC1CC(=O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NR1H2 P55055 1/20 0.40
BRD4 O60885 3/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ATM Q13315 2/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KDM1A O60341 1/20 0.34
NAMPT P43490 1/20 0.34
GLA P06280 1/20 0.33
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 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
SCHEMBL5112488 0.91 NR1H2 (0.38) KMT2AALDH1A1NR1H2BRD4CHRM2
SCHEMBL16419550 0.87 ALDH1A1 (0.44) KMT2AALDH1A1CHRM2CHRM1CHRM3
SCHEMBL3049348 0.85 ALDH1A1 (0.43) KMT2AALDH1A1NR1H2CHRM2CHRM1
SCHEMBL28513062 0.84 NR1H2 (0.38) KMT2ANR1H2BRD4CHRM2CHRM1
SCHEMBL3048729 0.83 ALDH1A1 (0.41) KMT2AALDH1A1CHRM2CHRM1CHRM3
SCHEMBL28509761 0.81 NR1H2 (0.39) KMT2ANR1H2BRD4CHRM2CHRM1
SCHEMBL21562816 0.81 NR1H2 (0.39) KMT2ANR1H2BRD4CHRM2CHRM1
SCHEMBL34473183 0.81 NR1H2 (0.39) KMT2AALDH1A1NR1H2BRD4CHRM2
SCHEMBL14534856 0.79 NR1H2 (0.38) KMT2AALDH1A1NR1H2BRD4CHRM2
SCHEMBL3046936 0.79 ALDH1A1 (0.49) KMT2AALDH1A1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-01-29 US disclosed
US-8242285-B2 N-tert-butoxycarbonyl-2-pyrrolidinones and production method thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 US disclosed
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-27 US disclosed
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-27 US disclosed
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-27 US disclosed
US-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-25 US disclosed
EP-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 EP disclosed
EP-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 EP disclosed
US-7476688-B2 Cyclic amidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-13 US disclosed
US-7476688-B2 Cyclic amidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-13 US disclosed
EP-2008999-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-12-31 EP disclosed
US-20040254376-A1 Cyclic amidine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-16 US disclosed
EP-1386912-A1 CYCLIC AMIDINE DERIVATIVE Eisai Co., Ltd. (JP) 2004-02-04 EP 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 (5 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-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 KMT2A 1891/4885ALDH1A1 2413/4885NR1H2 2948/4885
US-20040254376-A1 Cyclic amidine derivative ARGLU1, ARG1, PRMT1 KMT2A 1267/4885ALDH1A1 3155/4885NR1H2 1521/4885
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES H1-10, H1-3, H1-4 KMT2A 2585/4885ALDH1A1 3552/4885NR1H2 1308/4885
US-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF TERT, CBR1, TELO2 KMT2A 1777/4885ALDH1A1 1515/4885NR1H2 1282/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 KMT2A 1777/4885ALDH1A1 1515/4885NR1H2 1282/4885

“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.