SCHEMBL3569464

SCHEMBL3569464

O=C1C(c2cccc(Br)c2)n2cncc2CN1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.36
TEAD1 P28347 2/20 0.36
TACR1 P25103 1/20 0.36
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
CETP P11597 1/20 0.35
RORC P51449 1/20 0.35

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
Hydrochloric Acid SCHEMBL3577969 0.99 CYP11B1 (0.50) CYP11B1CYP11B2DRD2DRD3KCNH2
SCHEMBL3573743 0.92 CYP11B1 (0.52) CYP11B1CYP11B2TACR1CYP3A4RORC
Hydrochloric Acid SCHEMBL3573955 0.91 CYP11B1 (0.51) CYP11B1CYP11B2TACR1CYP3A4RORC
SCHEMBL3577908 0.88 CYP11B1 (0.53) CYP11B1CYP11B2KMT2AMEN1GAA
SCHEMBL3577749 0.87 CYP11B1 (0.65) CYP11B1CYP11B2KMT2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL3575524 0.87 CYP11B1 (0.52) CYP11B1CYP11B2KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL3565591 0.86 CYP11B1 (0.64) CYP11B1CYP11B2KMT2AMEN1CYP3A4
SCHEMBL3575955 0.86 CYP11B1 (0.53) CYP11B1CYP11B2KMT2AMEN1HTT
Hydrochloric Acid SCHEMBL3575571 0.85 CYP11B1 (0.52) CYP11B1CYP11B2KMT2AMEN1HTT
SCHEMBL3575388 0.85 CYP11B2 (0.54) CYP11B1CYP11B2KCNH2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US claimed
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
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 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 (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 CYP11B1 1/4885CYP11B2 6/4885DRD2 4859/4885

“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.