SCHEMBL8035955

SCHEMBL8035955

COc1ccc2c(CCNc3c(Cl)cc(Nc4ccnc(CO)c4)cc3Cl)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CYP1A2 P05177 8/20 0.45
CYP3A4 P08684 8/20 0.45
CYP2D6 P10635 8/20 0.45
CYP2C19 P33261 8/20 0.45
CLK4 Q9HAZ1 8/20 0.45
USP2 O75604 7/20 0.45
CYP2C9 P11712 7/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPK1 P28482 6/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.44
CDK2 P24941 1/20 0.44
PTGDR Q13258 1/20 0.43
HPGD P15428 1/20 0.43
IP6K1 Q92551 2/20 0.43
HTR2A P28223 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
SCHEMBL12811071 0.90 MTNR1A (0.47) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL12845630 0.88 MTNR1A (0.51) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8041094 0.86 MTNR1A (0.50) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8041068 0.86 POLB (0.47) KMT2ACDK2HTR2AHTR6
SCHEMBL13037062 0.85 CDK2 (0.51) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL12845460 0.84 CDK2 (0.50) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL12845468 0.82 CDK2 (0.48) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8045376 0.82 MTNR1A (0.46) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8043495 0.81 USP2 (0.49) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL12810880 0.79 HTR2A (0.39) CYP1A2CYP3A4CYP2D6CYP2C19CLK4

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 10 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
EP-2203440-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2011-03-23 EP 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 1771/4885CYP1A2 2972/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 MTNR1A 1006/4885MTNR1B 1771/4885CYP1A2 2972/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 MTNR1A 1006/4885MTNR1B 1771/4885CYP1A2 2972/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 MTNR1A 1118/4885MTNR1B 1821/4885CYP1A2 2976/4885

“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.