SCHEMBL2013301

SCHEMBL2013301

COC(=O)[C@@H](N)Cc1c[nH]c2cccc(OC)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
HTR2A P28223 3/20 0.56
HTR6 P50406 1/20 0.51
SCN5A Q14524 1/20 0.48
SCN2A Q99250 1/20 0.48
TACR1 P25103 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MPO P05164 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
HCRTR1 O43613 1/20 0.44
ADRB2 P07550 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
Hydrochloric Acid SCHEMBL28174732 0.99 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR6SCN5A
Hydrochloric Acid SCHEMBL28174730 0.99 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL1461062 0.89 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL1461064 0.89 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL2013303 0.89 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL18029216 0.89 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL29809866 0.89 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL24113156 0.86 GPR84 (0.52) MTNR1AMTNR1BHTR2ATACR1KMT2A
SCHEMBL6775637 0.86 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL30310656 0.86 GPR84 (0.52) MTNR1AMTNR1BHTR2ATACR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513016-B1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz Zentrum für Infektionsforschung GmbH (DE) 2016-02-17 EP claimed
US-20120295941-A1 Method For Producing Intermediates For The Production Of Macrocycles That Are Inhibitors Of The Proteasomic Degradation of P27, Such As Argyrin And Derivatives Thereof GOTTFRIED WILHELM LEIBNIZ UNIVERSITAT (DE) 2012-11-22 US claimed
EP-2513016-A1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2012-10-24 EP claimed
WO-2011073173-A1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2011-06-23 WO claimed
EP-2513016-B1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz Zentrum für Infektionsforschung GmbH (DE) 2016-02-17 EP disclosed
US-8853249-B2 Method for producing intermediates for the production of macrocycles that are inhibitors of the proteasomic degradation of p27, such as argyrin and derivatives thereof Helmholtz-Zentrum für Infektionsforschungs GmbH (DE) 2014-10-07 US disclosed
US-20120295941-A1 Method For Producing Intermediates For The Production Of Macrocycles That Are Inhibitors Of The Proteasomic Degradation of P27, Such As Argyrin And Derivatives Thereof GOTTFRIED WILHELM LEIBNIZ UNIVERSITAT (DE) 2012-11-22 US disclosed
EP-2513016-A1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2012-10-24 EP disclosed
WO-2011073173-A1 IMPROVED METHOD FOR PRODUCING INTERMEDIATES FOR THE PRODUCTION OF MACROCYCLES THAT ARE INHIBITORS OF THE PROTEASOMIC DEGRADATION OF P27, SUCH AS ARGYRIN AND DERIVATIVES THEREOF Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2011-06-23 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 (1 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-20120295941-A1 Method For Producing Intermediates For The Production Of Macrocycles That Are Inhibitors Of The Proteasomic Degradation of P27, Such As Argyrin And Derivatives Thereof SKP2, CDKN1A, MDM2 MTNR1A 3824/4885MTNR1B 3492/4885HTR2A 4497/4885

“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.