SCHEMBL17686102

SCHEMBL17686102

Cc1c(Br)cncc1C(C)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL25927959 0.83 GABRA1 (0.32)
SCHEMBL16196120 0.78 CYP11B2 (0.34) CYP11B2
SCHEMBL20518965 0.77
SCHEMBL152386 0.74
SCHEMBL5554079 0.73
SCHEMBL782704 0.71 RPS6KA3 (0.37) CYP11B2
SCHEMBL3064732 0.71 RPS6KA3 (0.33) CYP11B2
SCHEMBL30746503 0.69
SCHEMBL5512028 0.69
SCHEMBL16248188 0.68 GABRA1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108587-B Aldosterone synthase inhibitors 勃林格殷格翰国际有限公司 2020-05-22 CN disclosed
US-9745289-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745289-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745289-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
EP-3207039-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-08-23 EP disclosed
WO-2016061161-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 WO disclosed
WO-2016061161-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 WO disclosed
US-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 US disclosed
US-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 US disclosed
US-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-21 US 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-20160108026-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, HSD11B1 CYP11B1 2/4885CYP11B2 5/4885

“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.