SCHEMBL3574944

SCHEMBL3574944

CC(C(=O)Oc1ccc(C#N)cc1)n1cncc1CO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 5/20 0.46
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
SLC22A12 Q96S37 2/20 0.38
MGLL Q99685 2/20 0.38
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PANK3 Q9H999 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PGGT1B P53609 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL3568129 0.81 CYP11B1 (0.45) CYP11B1CYP11B2POLBMAPTSLC22A12
SCHEMBL27716744 0.75 CYP11B2 (0.40) CYP11B1CYP11B2FNTAFNTB
SCHEMBL3571215 0.73 HTT (0.58) CYP11B1CYP11B2MAPTFNTAFNTB
SCHEMBL8299712 0.72 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3466250 0.70 CYP11B2 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL10033505 0.69 MGLL (0.51) CYP11B1CYP11B2POLBMAPTMGLL
SCHEMBL19441077 0.68 MGLL (0.47) POLBMAPTMGLLMMP2MMP3
SCHEMBL5014648 0.68 PARP15 (0.47) POLBMAPTMGLLMMP2MMP3
SCHEMBL16100223 0.67 CYP11B2 (0.61) CYP11B1CYP11B2
SCHEMBL9263635 0.67 CYP11B1 (0.50) CYP11B1CYP11B2MAPTFNTAFNTB

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-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 6/4885POLB 867/4885

“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.