SCHEMBL8045376

SCHEMBL8045376

COc1cccc2c(CCNc3c(Cl)cc(Nc4ccnc(CO)c4)cc3Cl)c[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
HTR2A P28223 3/20 0.42
ADRB3 P13945 9/20 0.42
ADRB1 P08588 3/20 0.42
ADRB2 P07550 2/20 0.42
HTR6 P50406 3/20 0.41
DYRK1A Q13627 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL12810880 0.89 HTR2A (0.39) HTR2AADRB3MEN1KMT2AUSP2
SCHEMBL8045371 0.87 MTNR1A (0.49) MTNR1AMTNR1BHTR2AADRB3ADRB1
SCHEMBL12810898 0.85 ADRB3 (0.41) MTNR1AMTNR1BHTR2AADRB3ADRB1
SCHEMBL8041068 0.83 POLB (0.47) HTR2AADRB3HTR6KMT2APTGS2
SCHEMBL8050443 0.83 GAK (0.50) MTNR1AMTNR1BHTR2AADRB3ADRB1
SCHEMBL8035955 0.82 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR6MEN1
SCHEMBL13130725 0.81 MTNR1A (0.44) MTNR1AMTNR1BHTR2AADRB3ADRB1
SCHEMBL8042882 0.78 HTR2A (0.42) HTR2AADRB3MEN1KMT2AUSP2
SCHEMBL13130721 0.78 MTNR1A (0.41) MTNR1AMTNR1BHTR2AADRB3ADRB1
SCHEMBL12811037 0.78 ALDH1A1 (0.37) MTNR1AMTNR1BMEN1KMT2AALDH1A1

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
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2023-02-21 US disclosed
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 JANSSEN PHARMACEUTICA NV (BE) 2020-04-23 US disclosed
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 US disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 US disclosed
WO-2009037308-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-03-26 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 (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-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 MTNR1A 1006/4885MTNR1B 1771/4885HTR2A 3374/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 MTNR1A 1006/4885MTNR1B 1771/4885HTR2A 3374/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 MTNR1A 1006/4885MTNR1B 1771/4885HTR2A 3374/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 MTNR1A 1118/4885MTNR1B 1821/4885HTR2A 3587/4885

“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.