SCHEMBL2395843

SCHEMBL2395843

COC(=O)C1CCC(CN(C)c2ccc(I)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.40
SLC6A4 P31645 6/20 0.40
SLC6A2 P23975 4/20 0.40
HPGD P15428 1/20 0.38
ACACB O00763 1/20 0.37
DHFR P00374 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL2395841 1.00 SLC6A3 (0.40) SLC6A3SLC6A4SLC6A2HPGDACACB
SCHEMBL23832500 0.81 EPHX2 (0.37) TRPV1
SCHEMBL2393193 0.80 MDM2 (0.34) SLC6A3SLC6A4SLC6A2TRPV1
SCHEMBL2393190 0.80 MDM2 (0.34) SLC6A3SLC6A4SLC6A2TRPV1
SCHEMBL16104125 0.76 APP (0.34) TRPV1
SCHEMBL2394446 0.75 DRD2 (0.46)
SCHEMBL2394449 0.75 DRD2 (0.46)
SCHEMBL2388269 0.75 BRD4 (0.43) TRPV1
SCHEMBL2388268 0.75 BRD4 (0.43) TRPV1
SCHEMBL2394670 0.75 TP53 (0.35) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US 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
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-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 (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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 SLC6A3 3907/4885SLC6A4 2244/4885SLC6A2 4233/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 SLC6A3 3907/4885SLC6A4 2244/4885SLC6A2 4233/4885

“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.