SCHEMBL8263322

SCHEMBL8263322

COc1ccc2c(CCNc3ccc(Nc4ccnc5c4CCC5O)cc3)c[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 2/20 0.43
PTGDR Q13258 1/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 1/20 0.42
IP6K1 Q92551 1/20 0.41
PTGS2 P35354 2/20 0.41
HTR2A P28223 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CDK2 P24941 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGS1 P23219 1/20 0.40
HTR6 P50406 1/20 0.40
USP2 O75604 5/20 0.40
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 5/20 0.40

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
SCHEMBL8033008 0.91 MTNR1A (0.42) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL8050495 0.90 MTNR1A (0.42) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL12845349 0.89 CDK2 (0.41) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL8048113 0.88 MTNR1A (0.41) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL12845707 0.85 HRH3 (0.46) MEN1KMT2AMAPTMAPK1PTGS2
SCHEMBL12554173 0.85 HRH3 (0.46) MEN1KMT2AMAPTMAPK1PTGS2
SCHEMBL12845325 0.85 HRH3 (0.46) MEN1KMT2AMAPTMAPK1PTGS2
SCHEMBL12845635 0.85 CDK2 (0.41) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL19114461 0.82 MTNR1A (0.40) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL12845423 0.80 HRH3 (0.46) MTNR1AMEN1KMT2AMAPK1PTGS2

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
EP-2393801-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica NV a corporation 2011-12-01 US disclosed
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 LACRAMPE JEAN FERNAND ARMAND 2011-03-03 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
US-7834016-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA NV (BE) 2010-11-16 US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 US disclosed
WO-2006032631-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 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 (3 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-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS IDO1, IDO2, INMT MTNR1A 23/4885MTNR1B 39/4885MEN1 1033/4885
US-20110053937-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 MTNR1A 936/4885MTNR1B 1454/4885MEN1 978/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 MTNR1A 936/4885MTNR1B 1454/4885MEN1 978/4885

“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.