SCHEMBL14908426

SCHEMBL14908426

CCOC(=O)[C@H](C)n1cnc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL19618698 0.84 RECQL (0.35) NPSR1ALDH1A1KDM4EHPGDLMNA
SCHEMBL941690 0.80 KDM4E (0.41) MAPTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL908755 0.80 KMT2A (0.35) NPSR1MAPTALDH1A1KDM4ELMNA
SCHEMBL4062800 0.72 ALDH1A1 (0.40) NPSR1MAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL10361017 0.72 ALDH1A1 (0.46) MAPTL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL23138142 0.72 CYP1A2 (0.39) NPSR1CYP1A2CYP2C9ALDH1A1LMNA
SCHEMBL29115650 0.72 CYP1A2 (0.39) NPSR1CYP1A2CYP2C9ALDH1A1LMNA
SCHEMBL15880689 0.72 TSHR (0.42) NPSR1MAPTL3MBTL1CYP1A2ALDH1A1
SCHEMBL2936341 0.72 ADORA2A (0.34) ALDH1A1SMN1; SMN2
SCHEMBL2962859 0.71 CYP1A2 (0.39) NPSR1MAPTL3MBTL1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708371-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2023-07-25 US disclosed
US-20210221815-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2021-07-22 US disclosed
US-20200031838-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2020-01-30 US disclosed
US-10435410-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORPORATION (US) 2019-10-08 US disclosed
US-20190016729-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME CORP. (US) 2019-01-17 US disclosed
US-20180065973-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME CORP. (US) 2018-03-08 US disclosed
US-9822121-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
US-20160176884-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2016-06-23 US disclosed
US-20150087832-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME, CORP. (US) 2015-03-26 US disclosed
WO-2013062881-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME CORP. (US) 2013-05-02 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 (8 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-20160176884-A1 Process for Making Beta 3 Agonists and Intermediates ADRB3, ADRB2, ADRB1 NPSR1 269/4885MAPT 2876/4885L3MBTL1 4500/4885
US-20150087832-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES ADRB3, ADRB2, ADRB1 NPSR1 269/4885MAPT 2876/4885L3MBTL1 4500/4885
US-20210221815-A1 Process for Making Beta 3 Agonists and Intermediates ADRB3, ADRB2, ADRB1 NPSR1 269/4885MAPT 2876/4885L3MBTL1 4500/4885
US-10435410-B2 Process for making beta 3 agonists and intermediates ADRB3, ADRB2, ADRB1 NPSR1 269/4885MAPT 2876/4885L3MBTL1 4500/4885
US-20180065973-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES ADRB3, ADRB2, ADRB1 NPSR1 269/4885MAPT 2876/4885L3MBTL1 4500/4885
US-20190016729-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES ADRB3, ADRB2, ADRB1 NPSR1 269/4885MAPT 2876/4885L3MBTL1 4500/4885
US-11708371-B2 Process for making beta 3 agonists and intermediates ADRB3, ADRB2, ADRB1 NPSR1 269/4885MAPT 2876/4885L3MBTL1 4500/4885
US-20200031838-A1 Process for Making Beta 3 Agonists and Intermediates ADRB3, ADRB2, ADRB1 NPSR1 269/4885MAPT 2876/4885L3MBTL1 4500/4885

“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.