SCHEMBL6922053

SCHEMBL6922053

O=C1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.42
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 3/20 0.39
F10 P00742 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL29729550 0.95 POLB (0.47) POLBKMT2AFABP5FABP7L3MBTL1
SCHEMBL1128835 0.95 POLB (0.47) POLBKMT2AFABP5FABP7L3MBTL1
SCHEMBL27951734 0.90 TSHR (0.43) POLBKMT2AFABP5FABP7L3MBTL1
SCHEMBL30824716 0.88 TSHR (0.50) POLBKMT2AFABP5FABP7L3MBTL1
SCHEMBL30555288 0.88 TSHR (0.50) POLBKMT2AFABP5FABP7L3MBTL1
SCHEMBL8222797 0.88 TSHR (0.50) POLBKMT2AFABP5FABP7L3MBTL1
SCHEMBL28263416 0.87 TSHR (0.45) POLBKMT2AFABP5FABP7L3MBTL1
SCHEMBL31220527 0.86 TSHR (0.52) POLBKMT2AFABP5FABP7L3MBTL1
SCHEMBL30276687 0.86 TSHR (0.52) POLBKMT2AFABP5FABP7L3MBTL1
SCHEMBL711979 0.86 TSHR (0.52) POLBKMT2AFABP5FABP7L3MBTL1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083641-B1 SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-11-09 EP disclosed
US-9707234-B2 Spirocyclic hetercycle compounds useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-9707234-B2 Spirocyclic hetercycle compounds useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20160317543-A1 SPIROCYCLIC HETERCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-03 US disclosed
US-20160317543-A1 SPIROCYCLIC HETERCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-03 US disclosed
EP-3083641-A1 SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-10-26 EP disclosed
WO-2015095258-A1 SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095258-A1 SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015089847-A1 SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015089847-A1 SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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-20160317543-A1 SPIROCYCLIC HETERCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS REV1, SULT1E1, CCNY POLB 518/4885KMT2A 2017/4885FABP5 4758/4885
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 POLB 4462/4885KMT2A 944/4885FABP5 382/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 POLB 4462/4885KMT2A 944/4885FABP5 382/4885

“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.