SCHEMBL2388263

SCHEMBL2388263

NC1CCC(CC(N)c2ccc(I)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.32
DPEP1 P16444 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL2394660 0.81 ACACB (0.31) ACACB
SCHEMBL2393126 0.76 CPB2 (0.34) CPB2
SCHEMBL2393068 0.75 MAP2K1 (0.30)
SCHEMBL5463403 0.74 SLC6A4 (0.44)
SCHEMBL5455820 0.74 SLC6A2 (0.39)
SCHEMBL5453564 0.74 METAP2 (0.38)
SCHEMBL5453640 0.74 DPP4 (0.40) DPEP1
SCHEMBL6542877 0.74 SLC6A2 (0.39)
SCHEMBL3061093 0.74 SCN4A (0.44)
SCHEMBL6854233 0.74 SCN4A (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073898-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-07-07 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-8969351-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-03-03 US disclosed
EP-2640467-B1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION NOVARTIS AG (CH) 2014-12-17 EP disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
EP-2640467-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION Novartis AG (CH) 2013-09-25 EP disclosed
US-20130245036-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION NOVARTIS AG (CH) 2013-09-19 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20120129871-A1 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2012-05-24 US disclosed
WO-2012066095-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 CPB2 4488/4885DPEP1 3420/4885ACACB 3703/4885
US-20130245036-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION MDM4, TP53, TP53BP1 CPB2 3262/4885DPEP1 1195/4885ACACB 3246/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 CPB2 4488/4885DPEP1 3420/4885ACACB 3703/4885
US-20120129871-A1 Crystalline form of an inhibitor of MDM2/4 and p53 interaction MDM4, TP53, TP53BP1 CPB2 3236/4885DPEP1 1249/4885ACACB 3203/4885

“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.