SCHEMBL17814209

SCHEMBL17814209

Cc1n[nH]c2ccc(-c3cncc4c3COCC4O)cc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.36
CYP11B2 P19099 7/20 0.36
GSK3B P49841 4/20 0.36
KCNH2 Q12809 4/20 0.36
DYRK1A Q13627 4/20 0.35
CLK3 P49761 2/20 0.35
CLK2 P49760 1/20 0.35
WNT1 P04628 4/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
JAK2 O60674 1/20 0.33
MAP3K8 P41279 1/20 0.33

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
SCHEMBL17814210 0.92 CYP11B1 (0.36) CYP11B1CYP11B2GSK3BKCNH2PRMT5
SCHEMBL19348305 0.88 PRMT5 (0.37) CYP11B1CYP11B2GSK3BKCNH2DYRK1A
SCHEMBL17814094 0.81 CYP11B1 (0.36) CYP11B1CYP11B2GSK3BPRMT5WDR77
SCHEMBL21105114 0.81 MAP3K8 (0.35) CYP11B1CYP11B2GSK3BKCNH2DYRK1A
SCHEMBL17814177 0.81 CLK1 (0.44) GSK3BDYRK1ACLK3CLK2JAK2
SCHEMBL17814137 0.80 CYP11B2 (0.51) CYP11B1CYP11B2
SCHEMBL21105091 0.80 CYP11B2 (0.35) CYP11B1CYP11B2GSK3BKCNH2DYRK1A
SCHEMBL17814161 0.80 MAPK14 (0.42) CYP11B1CYP11B2
SCHEMBL19348314 0.80 PRMT5 (0.37) CYP11B1CYP11B2PRMT5WDR77JAK2
SCHEMBL17814133 0.80 CYP11B2 (0.47) CYP11B1CYP11B2DYRK1ACLK2WNT1

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 CYP11B1 1/4885CYP11B2 3/4885GSK3B 261/4885

“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.