SCHEMBL9963103

SCHEMBL9963103

CC(C)(C)OC(=O)N1CCN(Cc2nc3ccccc3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
ACKR3 P25106 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KCNH2 Q12809 2/20 0.47
DTYMK P23919 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
GBA1 P04062 1/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 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
SCHEMBL9933038 0.83 GPR119 (0.48) GPR119L3MBTL1ACKR3SMN1; SMN2LMNA
SCHEMBL4690960 0.82 LTA4H (0.66) GPR119SMN1; SMN2KCNH2RAB9ACYP1A2
SCHEMBL10219244 0.80 NPC1 (0.72) GPR119SMN1; SMN2LMNAPKMTSHR
SCHEMBL5331976 0.80 SLC27A1 (0.60) GPR119SMN1; SMN2TSHRNPSR1KMT2A
SCHEMBL24986914 0.80 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2LMNAPKMTSHR
SCHEMBL26606513 0.79 PCSK9 (0.64) GPR119L3MBTL1ACKR3SMN1; SMN2KMT2A
SCHEMBL30866242 0.79 PCSK9 (0.64) GPR119L3MBTL1ACKR3SMN1; SMN2KMT2A
SCHEMBL14768643 0.78 SMN1; SMN2 (0.53) GPR119L3MBTL1ACKR3SMN1; SMN2LMNA
SCHEMBL24983962 0.77 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2LMNAPKMTSHR
SCHEMBL24265808 0.77 GPR119 (0.48) GPR119LMNANPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 US disclosed
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 US disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP 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-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

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-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof MAN2A1, MAN1B1, ALG1 GPR119 731/4885L3MBTL1 2558/4885ACKR3 3371/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 GPR119 188/4885L3MBTL1 4267/4885ACKR3 72/4885

“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.