SCHEMBL9965941

SCHEMBL9965941

CC(C)(C)OC(=O)N1C[C@@H]2C(c3nnco3)[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
NR1H2 P55055 1/20 0.39
ADRB3 P13945 1/20 0.38
KCNH2 Q12809 1/20 0.38
SSTR4 P31391 1/20 0.37
RECQL P46063 1/20 0.36
PIK3CD O00329 1/20 0.36
USP30 Q70CQ3 1/20 0.36
JAK3 P52333 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NAMPT P43490 1/20 0.36
RORC P51449 1/20 0.36
FAAH O00519 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL16187765 1.00 GPR119 (0.43) GPR119SMN1; SMN2USP2NR1H2ADRB3
SCHEMBL10189711 1.00 GPR119 (0.43) GPR119SMN1; SMN2USP2NR1H2ADRB3
SCHEMBL24824546 0.86 GPR119 (0.45) GPR119SMN1; SMN2USP2NR1H2RECQL
SCHEMBL15024201 0.79 GPR119 (0.53) GPR119SMN1; SMN2USP2KCNH2RECQL
SCHEMBL9965913 0.78 SSTR4 (0.43) GPR119SMN1; SMN2USP2NR1H2SSTR4
SCHEMBL12836008 0.78 SSTR4 (0.43) GPR119SMN1; SMN2USP2NR1H2SSTR4
SCHEMBL9965957 0.77 KDM5A (0.48) GPR119SMN1; SMN2USP2NR1H2SSTR4
SCHEMBL12835643 0.77 KDM5A (0.48) GPR119SMN1; SMN2USP2NR1H2SSTR4
SCHEMBL14641877 0.77 NR1H2 (0.40) SMN1; SMN2USP2NR1H2SSTR4USP30
SCHEMBL9963083 0.77 NR1H2 (0.40) SMN1; SMN2USP2NR1H2SSTR4USP30

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 188/4885SMN1; SMN2 3655/4885USP2 4207/4885

“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.