SCHEMBL17802103

SCHEMBL17802103

Cn1ncc2ccc(-c3cncc4c3COCC4NC(=O)OC(C)(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.43
CDK8 P49336 4/20 0.43
CYP11B2 P19099 12/20 0.38
CYP11B1 P15538 10/20 0.38
SCD5 Q86SK9 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE2A O00408 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
SCHEMBL17814163 0.87 CCNC (0.47) CCNCCDK8CYP11B2CYP11B1SCD5
SCHEMBL17814142 0.86 CYP11B2 (0.50) CCNCCDK8CYP11B2CYP11B1
SCHEMBL17814141 0.85 CYP11B2 (0.49) CCNCCDK8CYP11B2CYP11B1
SCHEMBL17802108 0.85 CCNC (0.45) CCNCCDK8CYP11B2CYP11B1SCD5
SCHEMBL17802140 0.85 CYP11B2 (0.35) CYP11B2CYP11B1PDE2A
SCHEMBL21105188 0.82 CCNC (0.46) CCNCCDK8CYP11B2CYP11B1SCD5
SCHEMBL17814145 0.80 CYP11B1 (0.46) CCNCCDK8CYP11B2CYP11B1SCD5
SCHEMBL21105098 0.80 CCNC (0.42) CCNCCDK8CYP11B2CYP11B1SCD5
SCHEMBL17814131 0.80 CYP11B2 (0.49) CYP11B2CYP11B1
SCHEMBL17814108 0.79 CYP11B1 (0.49) CCNCCDK8CYP11B2CYP11B1PDE3B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
EP-3227300-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-10-11 EP disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
WO-2016089800-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 WO disclosed
WO-2016089800-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 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-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 CCNC 2192/4885CDK8 2437/4885CYP11B2 3/4885

“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.