SCHEMBL1509580

SCHEMBL1509580

N#Cc1nccc(C2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.49
CTSS P25774 6/20 0.43
KMO O15229 1/20 0.42
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIK3CD O00329 1/20 0.33

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
SCHEMBL31627432 0.88 CTSK (0.43) CTSKCTSSKMOMEN1KMT2A
SCHEMBL18706107 0.78 CTSK (0.42) CTSKCTSSKMOKCNH2ALOX5AP
SCHEMBL31627293 0.74 GPR119 (0.69) KDM4EMAPTGPR119
SCHEMBL28739251 0.74 PIK3CD (0.42) KDM4EADORA2AADORA1PIK3CDPIK3CA
SCHEMBL3938053 0.71
SCHEMBL2036795 0.69 ADORA2A (0.45) KMOKDM4EALDH1A1ADORA2AADORA1
SCHEMBL12615927 0.69 PIK3CD (0.36) ADORA2AADORA1PIK3CDPIK3CA
SCHEMBL29641671 0.69 PIK3CD (0.49) KDM4EALDH1A1ADORA2AADORA1PIK3CD
SCHEMBL28024101 0.69 PRKACA (0.42) CTSKKMOKCNH2
SCHEMBL2238411 0.69 KMO (0.44) CTSKCTSSKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834238-B1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER (US) 2017-02-01 EP disclosed
US-9296745-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2016-03-29 US disclosed
US-20150087585-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2015-03-26 US disclosed
EP-2834238-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS Pfizer Inc. (US) 2015-02-11 EP disclosed
CN-104334557-A Diacylglycerol acyltransferase 2 inhibitors PFIZER 2015-02-04 CN disclosed
EP-2470012-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-11-05 EP disclosed
EP-2470012-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-11-05 EP disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8604038-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-12-10 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-09-06 US disclosed
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-09-06 US disclosed
EP-2470012-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2012-07-04 EP disclosed
EP-2470021-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2012-07-04 EP disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO disclosed
WO-2011025774-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 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-20150087585-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, PLAAT2 CTSK 3925/4885CTSS 3602/4885KMO 1456/4885
US-20120225886-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CTSK 3793/4885CTSS 3607/4885KMO 1327/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CTSK 3793/4885CTSS 3607/4885KMO 1327/4885

“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.