SCHEMBL3569968

SCHEMBL3569968

Cc1ccc(CN2Cc3cncn3CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.39
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 3/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP19A1 P11511 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.36

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
SCHEMBL3568093 0.86 CYP11B2 (0.45) SMN1; SMN2ALDH1A1HTTLMNATAS2R8
SCHEMBL3575100 0.85 CYP11B2 (0.51) ALDH1A1CYP11B2CYP11B1CYP19A1GAA
Hydrochloric Acid SCHEMBL3568038 0.84 CYP11B2 (0.50) ALDH1A1CYP11B2CYP11B1CYP19A1GAA
SCHEMBL13946701 0.72 SMN1; SMN2 (0.47) TRPC5SMN1; SMN2ALDH1A1LMNAHDAC6
SCHEMBL3576859 0.70 CYP11B1 (0.81) CYP11B2CYP11B1CYP19A1
SCHEMBL15858059 0.68 LMNA (0.51) TRPC5SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL20033354 0.68 PLA2G2A (0.44) TRPC5SMN1; SMN2ALDH1A1LMNAHDAC6
SCHEMBL11848182 0.66 SMN1; SMN2 (0.47) TRPC5SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL15858033 0.66 ALDH1A1 (0.60) TRPC5SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL20035053 0.66 PLA2G2A (0.43) TRPC5SMN1; SMN2LMNAHDAC6TP53

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 15 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-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP 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
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP claimed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO 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
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 TRPC5 4553/4885SMN1; SMN2 4607/4885ALDH1A1 178/4885

“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.