SCHEMBL9933703

SCHEMBL9933703

CC(C)(C)OC(=O)N1CCN(C(C)(C#N)c2ccccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
KDM1A O60341 1/20 0.40
KDM1B Q8NB78 1/20 0.40
GRM5 P41594 1/20 0.40
POLB P06746 1/20 0.40
ACKR3 P25106 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39

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
SCHEMBL9934456 0.84 POLB (0.46) GPR119MEN1KMT2ACHRM2CHRM4
SCHEMBL9963093 0.79 GPR119 (0.44) GPR119MEN1KMT2ACHRM2CHRM4
SCHEMBL7120436 0.77 STS (0.44) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL16111449 0.74 TP53 (0.61) GPR119MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18917730 0.74 MEN1 (0.47) GPR119MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4473489 0.73 POLB (0.61) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL29479637 0.73 CYP3A4 (0.45) GPR119CYP3A4CYP3A5
SCHEMBL5405913 0.73 CYP3A4 (0.45) GPR119CYP3A4CYP3A5
SCHEMBL1180627 0.73 TGM2 (0.60) MEN1KMT2ASMN1; SMN2POLBF13A1
SCHEMBL2165432 0.72 KDM4E (0.54) GPR119MAPTSMN1; SMN2TP53THRB

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
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-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
WO-2011025690-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 (1 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-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 GPR119 188/4885MEN1 4791/4885KMT2A 4265/4885

“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.