SCHEMBL2397099

SCHEMBL2397099

C[C@@H](c1ccc(Br)cc1)N1C=CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.41
OPRM1 P35372 6/20 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
SCHEMBL2397094 0.70 HSD11B1 (0.46) HSD11B1OPRM1
SCHEMBL6324188 0.69 FAAH (0.38)
SCHEMBL28327800 0.67 OPRM1 (0.39) HSD11B1OPRM1
SCHEMBL4031814 0.66 HSD11B1 (0.54) HSD11B1OPRM1
SCHEMBL4031812 0.66 HSD11B1 (0.54) HSD11B1OPRM1
SCHEMBL2264957 0.66 CHRM2 (0.56) HSD11B1OPRM1
SCHEMBL2390369 0.66 CHRM2 (0.56) HSD11B1OPRM1
SCHEMBL2264950 0.66 CHRM2 (0.56) HSD11B1OPRM1
SCHEMBL19371518 0.65 MGLL (0.45) HSD11B1OPRM1
SCHEMBL8133993 0.63 HSD11B1 (0.42) HSD11B1OPRM1

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 HSD11B1 1628/4885OPRM1 2009/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 HSD11B1 1628/4885OPRM1 2009/4885

“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.