SCHEMBL9965903

SCHEMBL9965903

Cc1nc(C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)no1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.43
SSTR4 P31391 1/20 0.39
NR1H2 P55055 1/20 0.39
HDAC4 P56524 4/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
JAK3 P52333 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL9963078 1.00 GPR119 (0.43) GPR119SSTR4NR1H2HDAC4USP2
SCHEMBL12836236 1.00 GPR119 (0.43) GPR119SSTR4NR1H2HDAC4USP2
SCHEMBL1769141 0.86 GPR119 (0.45) GPR119NR1H2HDAC4USP2SMN1; SMN2
SCHEMBL9963086 0.85 HCRTR1 (0.39) SSTR4NR1H2HDAC4USP2SMN1; SMN2
SCHEMBL9965945 0.85 HCRTR1 (0.39) SSTR4NR1H2HDAC4USP2SMN1; SMN2
SCHEMBL12836455 0.85 HCRTR1 (0.39) SSTR4NR1H2HDAC4USP2SMN1; SMN2
SCHEMBL9965905 0.84 NR1H2 (0.36) GPR119SSTR4NR1H2HDAC4SMN1; SMN2
SCHEMBL9963084 0.84 NR1H2 (0.36) GPR119SSTR4NR1H2HDAC4SMN1; SMN2
SCHEMBL22194373 0.83 GPR119 (0.39) GPR119SSTR4NR1H2HDAC4USP2
SCHEMBL22194627 0.83 GPR119 (0.39) GPR119SSTR4NR1H2HDAC4USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GPR119 188/4885SSTR4 462/4885NR1H2 122/4885

“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.