SCHEMBL3573680

SCHEMBL3573680

CC(C)(C)OC(=O)N1CCC(CN2Cc3cncn3C(c3cccc(Br)c3)C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.45
NOTCH1 P46531 4/20 0.43
IDO1 P14902 4/20 0.39
BACE1 P56817 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
TDO2 P48775 1/20 0.38
USP7 Q93009 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8358496 0.90 FPR2 (0.40) FPR2IDO1BACE1USP7GPR119
SCHEMBL27633432 0.87 CYP11B1 (0.42) FNTAFNTBMAPT
SCHEMBL5226815 0.85 CYP11B1 (0.34) FPR2NOTCH1MAPT
SCHEMBL3582097 0.84 CYP11B1 (0.45) FNTAFNTBTP53
Hydrochloric Acid SCHEMBL3568030 0.83 CYP11B1 (0.45) FNTAFNTBTP53
SCHEMBL3572522 0.80 CYP11B1 (0.44) FPR2FNTAFNTBTP53
SCHEMBL3575708 0.72 CYP11B1 (0.51) FPR2
SCHEMBL3578287 0.71 CYP11B1 (0.52) IDO1
SCHEMBL3566875 0.71 CYP11B1 (0.56) TP53MAPT
Hydrochloric Acid SCHEMBL3565591 0.71 CYP11B1 (0.64) FNTAFNTBTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 EP claimed
US-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2006-07-27 US claimed
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
EP-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 EP disclosed
US-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2006-07-27 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 (1 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-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions CYP11B1, CYP27A1, CYP17A1 FPR2 3416/4885NOTCH1 4653/4885IDO1 1958/4885

“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.