SCHEMBL17360649

SCHEMBL17360649

O=C1CN(C(c2ccccc2)c2ccccc2)C(=O)CN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HTR2B P41595 2/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL16081261 0.79 ACHE (0.42) CYP2D6HTR2AHRH1OPRM1DRD3
SCHEMBL6580284 0.78 CYP3A4 (0.47) KMT2AMEN1CHRM2CHRM4CHRM5
SCHEMBL5597469 0.75 RAB9A (0.43) KMT2AMEN1CHRM2CHRM4CHRM5
SCHEMBL5543946 0.75 CACNA2D1 (0.54) KDM4EALDH1A1
SCHEMBL5547385 0.75 CACNA2D1 (0.54) KMT2AMEN1ALDH1A1NPSR1RAB9A
SCHEMBL62801 0.73 KMT2A (0.50) KMT2AMEN1CHRM2CHRM4CHRM5
SCHEMBL2312332 0.71 MEN1 (0.53) KMT2AMEN1CYP2D6OPRM1HSD17B10
SCHEMBL5563143 0.71 KMT2A (0.48) KMT2AMEN1CHRM2CHRM4CHRM5
SCHEMBL5269514 0.71 CACNA2D1 (0.63)
Hydrochloric Acid SCHEMBL2309353 0.70 MEN1 (0.51) KMT2AMEN1CYP2D6OPRM1HSD17B10

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
EP-2958926-B1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO LTD (KR) 2023-03-08 EP disclosed
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof VASTHERA CO. LTD. (KR) 2019-10-22 US disclosed
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof VASTHERA CO. LTD. (KR) 2019-10-22 US disclosed
US-20180305377-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2018-10-25 US disclosed
US-9765090-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2017-09-19 US disclosed
US-9765090-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2017-09-19 US disclosed
US-9765090-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2017-09-19 US disclosed
US-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO. LTD. (KR) 2017-08-24 US disclosed
US-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO. LTD. (KR) 2017-08-24 US disclosed
US-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO. LTD. (KR) 2017-08-24 US disclosed
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2016-08-04 US disclosed
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2016-08-04 US disclosed
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2016-08-04 US disclosed
EP-2958926-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF Ewha University-Industry Collaboration Foundation (KR) 2015-12-30 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 (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-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 KMT2A 3525/4885MEN1 3479/4885CHRM2 1972/4885
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 KMT2A 3525/4885MEN1 3479/4885CHRM2 1972/4885
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof PRDX1, PRDX2, PRDX5 KMT2A 3525/4885MEN1 3479/4885CHRM2 1972/4885
US-20180305377-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 KMT2A 3525/4885MEN1 3479/4885CHRM2 1972/4885

“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.