SCHEMBL885553

SCHEMBL885553

[CH]1OCCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAOB P27338 3/20 0.35
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KDM1A O60341 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2C P28335 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
SCHEMBL129473 0.86 MAOB (0.38) TSHRMAOBMAOABCHEACHE
SCHEMBL135836 0.72
SCHEMBL7063876 0.69 TSHR (0.63) TSHRMAOBCYP2A6MAOACA12
SCHEMBL24774025 0.67 TSHR (0.60) TSHRMAOBCYP2A6MAOACA12
SCHEMBL11328700 0.67 TSHR (0.60) TSHRMAOBCYP2A6MAOABCHE
SCHEMBL24772918 0.67 TSHR (0.60) TSHRMAOBCYP2A6MAOACA12
Fluoride SCHEMBL9776698 0.67 TSHR (0.80) TSHRMAOBCYP2A6MAOAMAPT
Fluoride SCHEMBL27822924 0.67 TSHR (0.80) TSHRMAOBCYP2A6MAOAMAPT
SCHEMBL452179 0.67 TSHR (0.46) TSHRMAOBCYP2A6MAOAKDM1A
SCHEMBL7065615 0.65 TSHR (0.57) TSHRMAOBCYP2A6MAOACA12

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP claimed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US claimed
EP-3227300-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-10-11 EP claimed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US claimed
WO-2016089800-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 WO claimed
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP claimed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US claimed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US claimed
EP-2134342-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-12-23 EP claimed
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 WO claimed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US claimed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US claimed
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
EP-3227300-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-10-11 EP disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
US-4591458-A ENZYME INHIBITORS; HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-05-27 US disclosed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0156455-A2 Condensed seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-02 EP disclosed
EP-0135349-A1 Condensed seven-membered ring compounds and their production and use Takeda Chemical Industries, Ltd. (JP) 1985-03-27 EP 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 (2 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 TSHR 875/4885MAOB 247/4885CYP2A6 53/4885
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL TSHR 725/4885MAOB 536/4885CYP2A6 739/4885

“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.