SCHEMBL2067933

SCHEMBL2067933

O=C(O)CC1c2ccccc2CC1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 9/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
GRIK2 Q13002 2/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL27697814 0.84 MEN1 (0.38) PYGLMEN1KMT2AMMP3MMP8
SCHEMBL11064768 0.84 EPHX2 (0.44) MEN1KMT2ATSHRNPSR1
SCHEMBL28908785 0.83 MEN1 (0.42) MEN1KMT2AMMP3MMP8TSHR
SCHEMBL11283517 0.81 PYGL (0.43) PYGLMMP8
SCHEMBL11283519 0.81 PYGL (0.43) PYGLMMP8
SCHEMBL27697670 0.81 NOD2 (0.35) MEN1KMT2AMMP3MMP8TSHR
SCHEMBL24650858 0.80 PYGL (0.42) PYGL
Hydrochloric Acid SCHEMBL3328714 0.79 PYGL (0.41) PYGL
SCHEMBL8296922 0.78 PYGL (0.41) PYGLMEN1KMT2ATSHR
SCHEMBL10721251 0.77 MEN1 (0.43) MEN1KMT2AMMP3MMP8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
EP-1791843-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-08-29 EP disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
EP-1794133-B1 ARYL SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
US-8003792-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
CN-101014602-B Monocyclic anilide spirolactam cgrp receptor antagonists MERCK & CO INC 2011-08-10 CN disclosed
US-7989624-B2 Aryl spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
CN-101014576-B Aryl spirolactam cgrp receptor antagonists MERCK & CO INC 2011-05-25 CN disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
EP-1797073-B1 BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME LLC 2008-04-24 US disclosed
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-01-03 US disclosed
CN-101018781-A Bicyclic N-anilide spirolactam CGRP receptor antagonists MERCK & CO INC (US) 2007-08-15 CN disclosed
CN-101014602-A Monocyclic anilide spirolactam cgrp receptor antagonists MERCK & CO INC (US) 2007-08-08 CN disclosed
CN-101014345-A Tricyclic anilide spirolactam cgrp receptor antagonists MERCK & CO INC (US) 2007-08-08 CN disclosed
CN-101014576-A Aryl spirolactam cgrp receptor antagonists MERCK & CO INC (US) 2007-08-08 CN disclosed
EP-1797073-A2 BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-06-20 EP disclosed
EP-1791843-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-06-06 EP disclosed
WO-2006031610-A2 BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
WO-2006029153-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-16 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 (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-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs CALCB, BDKRB2, BDKRB1 PYGL 4590/4885MEN1 1206/4885KMT2A 2663/4885
US-20080004304-A1 Aryl Spirolactam Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL PYGL 4600/4885MEN1 767/4885KMT2A 2015/4885
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL PYGL 4461/4885MEN1 433/4885KMT2A 2484/4885

“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.