SCHEMBL17814212

SCHEMBL17814212

Cn1cc(-c2cncc3c2COCC3O)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 6/20 0.37
▸ CDK8 P49336 6/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CYP11B1 P15538 5/20 0.35
▸ CYP11B2 P19099 5/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ FGFR3 P22607 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
SCHEMBL17814178 0.83 ACVRL1 (0.36) CCNCCDK8MKNK1MKNK2CYP11B1
SCHEMBL17814175 0.78 CYP11B1 (0.38) CCNCCDK8CYP11B1CYP11B2CREBBP
SCHEMBL17814162 0.77 BRD4 (0.32) MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL17814205 0.77 CYP11B1 (0.44) CHEK1CYP11B1CYP11B2ADRA2AFGFR3
SCHEMBL17814084 0.76 CDK8 (0.44) CCNCCDK8CYP11B1CYP11B2CREBBP
SCHEMBL17814124 0.76 CCNC (0.45) CCNCCDK8CYP11B1CYP11B2
SCHEMBL17802119 0.74 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL17814166 0.73 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL17814182 0.73 CYP11B1 (0.35) CCNCCDK8CYP11B1CYP11B2
SCHEMBL17814189 0.73 CYP11B1 (0.37) 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 2437/4885MKNK1 2117/4885

“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.

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