SCHEMBL16619630

SCHEMBL16619630

Cc1nc(-c2ccc([C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3CC[C@@H](Cc4ccc(C(=O)NC(C)c5cccnc5)cc4)N3C(=O)OC(C)(C)C)cn2)no1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.32
MET P08581 1/20 0.32
PRCP P42785 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
HPGDS O60760 2/20 0.30
NAMPT P43490 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL16619634 0.86 GPR119 (0.35) ACACBGPR119
SCHEMBL16619633 0.86 GPR119 (0.35) ACACBGPR119
SCHEMBL17986541 0.82 NAMPT (0.33) ACACBNAMPTMCHR1
SCHEMBL16629708 0.80 HDAC1 (0.38) GPR119NAMPT
SCHEMBL16619092 0.80 HDAC1 (0.38) GPR119NAMPT
SCHEMBL18210791 0.80 HDAC1 (0.38) GPR119NAMPT
SCHEMBL17986557 0.80 HDAC1 (0.38) GPR119NAMPT
SCHEMBL9932786 0.80 ADRB3 (0.35) GPR119NAMPT
SCHEMBL9932785 0.80 ADRB3 (0.35) GPR119NAMPT
SCHEMBL16619101 0.80 ADRB3 (0.35) GPR119NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052099-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2019-08-21 EP disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
EP-3052099-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2016-08-10 EP disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 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-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ACACB 2541/4885MET 2960/4885PRCP 3240/4885

“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.