SCHEMBL9933876

SCHEMBL9933876

C=C(O[Si](C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
HPGD P15428 1/20 0.55
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX1 P07099 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.44
STS P08842 5/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3759130 0.92 HPGD (0.52) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL860561 0.84 HPGD (0.48) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL4612451 0.80 HPGD (0.59) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL22719731 0.80 HPGD (0.62) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL16291661 0.80 HPGD (0.62) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL17150677 0.80 HPGD (0.62) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL13459039 0.79 HPGD (0.55) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL1329233 0.79 GLS (0.47) RECQLHPGDUSP2SMN1; SMN2EPHX1
SCHEMBL16230337 0.78 HPGD (0.60) RECQLHPGDPTPN2PTPN1PTPN6
SCHEMBL28195249 0.77 HPGD (0.68) RECQLHPGDPTPN2PTPN1PTPN6

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 6 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

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 RECQL 3971/4885HPGD 1024/4885PTPN2 3612/4885

“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.