SCHEMBL3575085

SCHEMBL3575085

O=C1C(c2cccc(Br)c2)n2cncc2CN1CCc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
DAO P14920 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
TAS2R8 Q9NYW2 1/20 0.35
RORC P51449 2/20 0.35
MAOB P27338 2/20 0.34
ADORA2A P29274 1/20 0.34
KCNH2 Q12809 2/20 0.34
HSD17B2 P37059 2/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNN4 O15554 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
ALOX15 P16050 1/20 0.33
FPR1 P21462 1/20 0.33
HTT P42858 1/20 0.33
IDO1 P14902 1/20 0.33

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 SCHEMBL3570099 0.99 CYP11B1 (0.47) CYP11B1CYP11B2DAORXFP1TAS2R8
SCHEMBL3568299 0.91 CYP11B1 (0.46) CYP11B1CYP11B2RXFP1RORCPKM
Hydrochloric Acid SCHEMBL3563239 0.90 CYP11B1 (0.46) CYP11B1CYP11B2RXFP1RORCPKM
SCHEMBL3569595 0.90 CYP11B1 (0.53) CYP11B1CYP11B2RXFP1RORCNPSR1
Hydrochloric Acid SCHEMBL3562158 0.89 CYP11B1 (0.52) CYP11B1CYP11B2RXFP1RORCNPSR1
SCHEMBL3570953 0.85 CYP11B2 (0.44) CYP11B1CYP11B2RXFP1RORC
SCHEMBL3574851 0.85 CYP11B1 (0.44) CYP11B1CYP11B2RXFP1RORCALOX15
SCHEMBL3575640 0.85 CYP11B1 (0.55) CYP11B1CYP11B2RXFP1RORCKCNH2
SCHEMBL3577749 0.85 CYP11B1 (0.65) CYP11B1CYP11B2RXFP1RORCFNTA
Hydrochloric Acid SCHEMBL3568370 0.85 CYP11B1 (0.43) CYP11B1CYP11B2RXFP1RORCALOX15

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 11 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-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP 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
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP 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 6/4885DAO 665/4885

“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.