SCHEMBL8045371

SCHEMBL8045371

COc1cccc2c(CCNc3c(Cl)cc(Nc4ccncc4)cc3Cl)c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
HTR2A P28223 4/20 0.47
HTR6 P50406 4/20 0.46
ADRB3 P13945 5/20 0.42
ADRB1 P08588 3/20 0.42
ADRB2 P07550 2/20 0.42
HTR1A P08908 3/20 0.38
DRD2 P14416 3/20 0.38
HTR7 P34969 3/20 0.38
ADRA2A P08913 1/20 0.38
USP2 O75604 4/20 0.37
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2C19 P33261 4/20 0.37
CLK4 Q9HAZ1 4/20 0.37
MAPK1 P28482 3/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL8040347 0.87 HTR2A (0.44) HTR2AADRB3ADRA2AKMT2A
SCHEMBL12845713 0.87 MTNR1A (0.56) MTNR1AMTNR1BHTR2AHTR6ADRB3
SCHEMBL8045376 0.87 MTNR1A (0.46) MTNR1AMTNR1BHTR2AHTR6ADRB3
SCHEMBL8050443 0.84 GAK (0.50) MTNR1AMTNR1BHTR2AHTR6ADRB3
SCHEMBL8047123 0.81 KMT2A (0.54) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL12810898 0.80 ADRB3 (0.41) MTNR1AMTNR1BHTR2AHTR6ADRB3
SCHEMBL8041094 0.80 MTNR1A (0.50) MTNR1AMTNR1BHTR2AHTR6USP2
SCHEMBL13130721 0.78 MTNR1A (0.41) MTNR1AMTNR1BHTR2AHTR6ADRB3
SCHEMBL8032984 0.77 MTNR1A (0.48) MTNR1AMTNR1BHTR2AHTR6ADRB3
SCHEMBL8043533 0.75 HTR2A (0.47) HTR2AADRB3CYP3A4MEN1KMT2A

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.