SCHEMBL2921166

SCHEMBL2921166

O=C(Oc1ccc2c(c1)CCC2=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.64
KMT2A Q03164 9/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 4/20 0.59
HSD17B10 Q99714 1/20 0.59
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
TDP1 Q9NUW8 2/20 0.54
PTGES O14684 2/20 0.49
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PARP10 Q53GL7 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL23074140 0.80 KMT2A (0.62) GRM5KMT2AMAPTMEN1HSD17B10
SCHEMBL7389121 0.78 MAPT (0.49) KMT2AMAPTMEN1HSD17B10MAOB
SCHEMBL30821349 0.78 MAPT (0.49) KMT2AMAPTMEN1HSD17B10MAOB
Hydrochloric Acid SCHEMBL31460351 0.78 MAPK14 (0.41) GRM5KMT2AMAPTMEN1HSD17B10
SCHEMBL9720000 0.77 KMT2A (0.58) GRM5KMT2AMAPTMEN1HSD17B10
SCHEMBL30218052 0.77 MAOB (0.47) GRM5HSD17B10MAOAMAOB
SCHEMBL1745079 0.76 GRM5 (0.53) GRM5MAPTHSD17B10MAOAMAOB
SCHEMBL8161351 0.76 GRM5 (0.45) GRM5KMT2AMAPTMEN1HSD17B10
SCHEMBL27706520 0.75 GRM5 (0.57) GRM5KMT2AMAPTMEN1HSD17B10
SCHEMBL27474119 0.74 KMT2A (1.00) GRM5KMT2AMAPTMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
EP-3082786-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-10-26 EP disclosed
WO-2015089809-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095256-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
US-8399507-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399507-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
EP-2215068-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
EP-2215068-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-20100216694-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
US-20100216694-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
US-20100216694-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
EP-2215068-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2010-08-11 EP disclosed
WO-2009058237-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2009-05-07 WO disclosed
WO-2009058237-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2009-05-07 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 (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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 GRM5 160/4885KMT2A 2439/4885MAPT 4741/4885
US-20100216694-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR55 GRM5 254/4885KMT2A 3211/4885MAPT 3676/4885

“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.