SCHEMBL17814166

SCHEMBL17814166

Cc1nnc2ccc(-c3cncc4c3COCC4O)cn12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 8/20 0.35
▸ CYP11B2 P19099 8/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MAPK14 Q16539 1/20 0.32
▸ NT5E P21589 1/20 0.32
▸ GRK5 P34947 1/20 0.31
▸ ABL1 P00519 2/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ SCN5A Q14524 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL17814182 0.82 CYP11B1 (0.35) CYP11B1CYP11B2TGFBR1
SCHEMBL17814165 0.81 CYP11B1 (0.35) CYP11B1CYP11B2HRH3MAPK14NT5E
SCHEMBL17814185 0.79 DNMT1 (0.39) CYP11B1CYP11B2MAPK14TGFBR1SCN5A
SCHEMBL17814212 0.73 CCNC (0.37) CYP11B1CYP11B2
SCHEMBL17814205 0.73 CYP11B1 (0.44) CYP11B1CYP11B2PIM1GSK3A
SCHEMBL17814109 0.70 CYP11B1 (0.38) CYP11B1CYP11B2NT5E
SCHEMBL17814175 0.70 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL17814207 0.70 CYP11B2 (0.68) CYP11B1CYP11B2
SCHEMBL17814124 0.69 CCNC (0.45) CYP11B1CYP11B2
SCHEMBL17814084 0.69 CDK8 (0.44) 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 CYP11B1 1/4885CYP11B2 3/4885HRH3 3165/4885

“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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