SCHEMBL17814124

SCHEMBL17814124

Cn1ncc2ccc(-c3cncc4c3COCC4O)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.45
CDK8 P49336 6/20 0.45
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 6/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
BRD4 O60885 1/20 0.38
SCD5 Q86SK9 1/20 0.37
FASN P49327 1/20 0.36
PIK3CA P42336 1/20 0.35
CTSC P53634 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL17814084 0.91 CDK8 (0.44) CCNCCDK8CYP11B1CYP11B2BRD4
SCHEMBL17802107 0.88 CDK8 (0.43) CCNCCDK8CYP11B1CYP11B2PDE3B
SCHEMBL17802093 0.87 CDK8 (0.41) CCNCCDK8PDE3BPDE3AERCC1
SCHEMBL21105188 0.85 CCNC (0.46) CCNCCDK8CYP11B1CYP11B2PDE3B
SCHEMBL17814206 0.84 CDK8 (0.42) CCNCCDK8CYP11B1CYP11B2PDE3B
SCHEMBL17814150 0.83 CDK8 (0.44) CCNCCDK8CYP11B1CYP11B2PDE3B
SCHEMBL17814163 0.83 CCNC (0.47) CCNCCDK8CYP11B1CYP11B2SCD5
SCHEMBL21105098 0.82 CCNC (0.42) CCNCCDK8CYP11B1CYP11B2PDE3B
SCHEMBL17814081 0.81 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL17814109 0.81 CYP11B1 (0.38) CYP11B1CYP11B2

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
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US 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
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

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 2437/4885CYP11B1 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.