SCHEMBL3208027

SCHEMBL3208027

N#CC1CCC(C2CCCc3cncn32)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.49
CYP11B2 P19099 9/20 0.49
CYP11B1 P15538 3/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3206559 0.75 CYP11B2 (0.44) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL14585840 0.67 CYP19A1 (0.55) CYP19A1CYP11B2CYP11B1KCNH2
S-Fadrozole SCHEMBL13449014 0.66 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Fadrozole SCHEMBL1650121 0.64 CYP19A1 (0.95) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL11448858 0.64 CYP19A1 (0.58) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL19005648 0.64 CYP19A1 (0.40) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1041555 0.62 CYP11B2 (0.69) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL10431491 0.62 CYP19A1 (0.56) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1039585 0.61 CYP11B2 (0.67) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2354499 0.60 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2

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
EP-2261225-A1 Heterocyclic compounds and their use as aldosterone synthase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
EP-2261225-A1 Heterocyclic compounds and their use as aldosterone synthase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
US-20100029694-A1 Heterocyclic compounds and their use as aldosterone synthase inhibitors HEROLD PETER 2010-02-04 US disclosed
US-20100029694-A1 Heterocyclic compounds and their use as aldosterone synthase inhibitors HEROLD PETER 2010-02-04 US disclosed
US-20100029694-A1 Heterocyclic compounds and their use as aldosterone synthase inhibitors HEROLD PETER 2010-02-04 US disclosed
US-7612088-B2 Heterocyclic compounds and their use as aldosterone synthase inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-11-03 US disclosed
US-7612088-B2 Heterocyclic compounds and their use as aldosterone synthase inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-11-03 US disclosed
US-7612088-B2 Heterocyclic compounds and their use as aldosterone synthase inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-11-03 US disclosed
US-20080318978-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2008-12-25 US disclosed
US-20080318978-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2008-12-25 US disclosed
US-20080318978-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2008-12-25 US disclosed
US-20070208035-A1 Heterocyclic compounds and their use as aldosterone synthase inhibitors HONDA MOTOR CO., LTD. (JP) 2007-09-06 US disclosed
US-20070208035-A1 Heterocyclic compounds and their use as aldosterone synthase inhibitors HONDA MOTOR CO., LTD. (JP) 2007-09-06 US disclosed
US-20070208035-A1 Heterocyclic compounds and their use as aldosterone synthase inhibitors HONDA MOTOR CO., LTD. (JP) 2007-09-06 US disclosed
WO-2005118557-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-12-15 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 (3 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-20080318978-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP11B2, CYP21A2 CYP19A1 41/4885CYP11B2 2/4885CYP11B1 1/4885
US-20100029694-A1 Heterocyclic compounds and their use as aldosterone synthase inhibitors CYP11B1, CYP11B2, CYP21A2 CYP19A1 36/4885CYP11B2 2/4885CYP11B1 1/4885
US-20070208035-A1 Heterocyclic compounds and their use as aldosterone synthase inhibitors CYP11B1, CYP11B2, CYP21A2 CYP19A1 41/4885CYP11B2 2/4885CYP11B1 1/4885

“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.