SCHEMBL3569595

SCHEMBL3569595

O=C1C(c2cccc(Br)c2)n2cncc2CN1CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
KDM1A O60341 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38
RORC P51449 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP3A4 P08684 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 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 SCHEMBL3562158 0.99 CYP11B1 (0.52) CYP11B1CYP11B2KDM1ARCOR1RORC
SCHEMBL3568299 0.91 CYP11B1 (0.46) CYP11B1CYP11B2RORCRXFP1CYP3A4
SCHEMBL3570953 0.91 CYP11B2 (0.44) CYP11B1CYP11B2RORCRXFP1MEN1
SCHEMBL3574851 0.91 CYP11B1 (0.44) CYP11B1CYP11B2RORCRXFP1CYP3A4
SCHEMBL3577749 0.91 CYP11B1 (0.65) CYP11B1CYP11B2RORCRXFP1CYP3A4
Hydrochloric Acid SCHEMBL3577768 0.90 CYP11B2 (0.43) CYP11B1CYP11B2RORCRXFP1MEN1
Hydrochloric Acid SCHEMBL3563239 0.90 CYP11B1 (0.46) CYP11B1CYP11B2RORCRXFP1CYP3A4
SCHEMBL3575085 0.90 CYP11B1 (0.48) CYP11B1CYP11B2RORCRXFP1NPSR1
Hydrochloric Acid SCHEMBL3568370 0.90 CYP11B1 (0.43) CYP11B1CYP11B2RORCRXFP1CYP3A4
Hydrochloric Acid SCHEMBL3565591 0.90 CYP11B1 (0.64) CYP11B1CYP11B2KDM1ARCOR1RORC

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 6/4885KDM1A 1724/4885

“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.