SCHEMBL884061

SCHEMBL884061

[C]1CCCc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
CYP2A6 P11509 1/20 0.33
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
KDM1A O60341 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL124208 0.89 MAOA (0.39) TSHRMAOAMAOBOXTRABCG2
SCHEMBL2851479 0.75
SCHEMBL3128 0.75
SCHEMBL4500547 0.72 MAOA (0.64) TSHRMAOAMAOBCYP2A6OXTR
SCHEMBL8447 0.68 ITGB2 (0.52) TSHRMAOAMAOBOXTRABCG2
SCHEMBL29356442 0.68 ITGB2 (0.52) TSHRMAOAMAOBOXTRABCG2
Fluoride SCHEMBL28202465 0.68 ITGB2 (0.52) TSHRMAOAMAOBOXTRABCG2
SCHEMBL5313090 0.68 ITGB2 (0.52) TSHRMAOAMAOBOXTRABCG2
SCHEMBL28007596 0.68 ITGB2 (0.52) TSHRMAOAMAOBOXTRABCG2
SCHEMBL261547 0.68 MAOA (0.37) MAOAMAOBOXTRABCG2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0821677-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-04 EP claimed
EP-0481920-B1 Benzoheterocyclylalkylaminoalkane diphosphonic acids CIBA GEIGY AG (CH) 1995-07-19 EP claimed
US-5204334-A Inhibition of calcium resorption; osteoporosis; Paget's disease; bone disorders CIBA-GEIGY CORPORATION (US) 1993-04-20 US claimed
EP-0481920-A1 Benzoheterocyclylalkylaminoalkane diphosphonic acids CIBA-GEIGY AG (CH) 1992-04-22 EP claimed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
EP-3558310-B1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-01-17 EP disclosed
EP-3558307-B1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-05-03 EP disclosed
EP-3634408-B1 AZABICYCLO[4.1.0]HEPTANE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2022-12-28 EP disclosed
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
US-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-02-10 US disclosed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
EP-0481920-B1 Benzoheterocyclylalkylaminoalkane diphosphonic acids CIBA GEIGY AG (CH) 1995-07-19 EP disclosed
US-5204334-A Inhibition of calcium resorption; osteoporosis; Paget's disease; bone disorders CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
EP-0481920-A1 Benzoheterocyclylalkylaminoalkane diphosphonic acids CIBA-GEIGY AG (CH) 1992-04-22 EP 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 (3 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-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 TSHR 152/4885MAOA 984/4885MAOB 1167/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 TSHR 623/4885MAOA 4169/4885MAOB 3987/4885
US-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR ALG1, NGLY1, SAT1 TSHR 1349/4885MAOA 522/4885MAOB 727/4885

“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.