SCHEMBL19348309

SCHEMBL19348309

Cn1nnc2ccc(-c3cncc4c3COCC4N)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.37
CYP11B2 P19099 5/20 0.37
FAAH O00519 1/20 0.36
NT5E P21589 2/20 0.33
MAT2A P31153 1/20 0.33
TDO2 P48775 3/20 0.32
SLC9A1 P19634 1/20 0.32
KEAP1 Q14145 1/20 0.32
CYP19A1 P11511 1/20 0.32
KDM1A O60341 3/20 0.31

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
SCHEMBL17814109 0.88 CYP11B1 (0.38) CYP11B1CYP11B2FAAHNT5EMAT2A
SCHEMBL19348296 0.82 CDK9 (0.45) CYP11B1CYP11B2
SCHEMBL17802107 0.81 CDK8 (0.43) CYP11B1CYP11B2
SCHEMBL17814128 0.80 CYP11B1 (0.48) CYP11B1CYP11B2
SCHEMBL17814083 0.80 CYP11B2 (0.49) CYP11B1CYP11B2
SCHEMBL19348307 0.79 CDK8 (0.43) CYP11B1CYP11B2FAAHKDM1A
SCHEMBL19348302 0.78 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL17814117 0.78 CYP11B1 (0.36) CYP11B1CYP11B2FAAHMAT2A
SCHEMBL17802102 0.72 CYP11B1 (0.36) CYP11B1CYP11B2KDM1A
SCHEMBL19348311 0.72 CYP11B1 (0.59) 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 3 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
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

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 3/4885FAAH 3669/4885

“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.