SCHEMBL8062508

SCHEMBL8062508

Cc1cccc2c(CCNCCO)c[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.60
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SOS2 Q07890 1/20 0.50
MPO P05164 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRB3 P13945 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
POLB P06746 2/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRA1D P25100 2/20 0.43
NR4A2 P43354 1/20 0.43
BRPF1 P55201 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
FTO Q9C0B1 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
SCHEMBL25029917 0.85 HTR2A (0.63) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL30886919 0.85 HTR2A (0.63) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL4803628 0.85 HTR2A (0.71) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL20647978 0.82 HTR2A (0.56) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL1971767 0.82 HTR2A (0.56) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL10646797 0.82 HTR2A (0.67) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL6920054 0.79 MTNR1A (0.70) HTR2AMAPTSMN1; SMN2NPSR1MTNR1A
SCHEMBL26663149 0.78 HTR2A (0.61) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL6031028 0.78 HTR2A (0.61) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL13217248 0.77 HTR2A (0.50) HTR2AMAPTSMN1; SMN2NPSR1SOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005769-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 STORCK PIERRE HENRI (GB) 2013-01-03 US disclosed
US-20130005769-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 STORCK PIERRE HENRI (GB) 2013-01-03 US disclosed
US-8288377-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-16 US disclosed
US-8288377-B2 Inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-16 US disclosed
EP-2203447-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2012-02-29 EP disclosed
US-20100216770-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN-CILAG (FR) 2010-08-26 US disclosed
US-20100216770-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN-CILAG (FR) 2010-08-26 US disclosed
WO-2009037343-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 (2 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-20100216770-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 HTR2A 2847/4885MAPT 1584/4885SMN1; SMN2 4155/4885
US-20130005769-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 HTR2A 2847/4885MAPT 1584/4885SMN1; SMN2 4155/4885

“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.