SCHEMBL9965901

SCHEMBL9965901

Cc1cnc(C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.40
SSTR4 P31391 1/20 0.39
GPR119 Q8TDV5 6/20 0.38
NR1H2 P55055 1/20 0.38
USP30 Q70CQ3 2/20 0.38
NAMPT P43490 1/20 0.38
PIK3CA P42336 2/20 0.37
AKT1 P31749 1/20 0.37
MTOR P42345 1/20 0.37
PIK3R1 P27986 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9948029 0.87 KDM4E (0.40) GPR119NR1H2NAMPTUSP2SMN1; SMN2
SCHEMBL9933338 0.81 KDM5A (0.36)
SCHEMBL9933335 0.81 KDM5A (0.36)
SCHEMBL14683780 0.80 HPGDS (0.48) GPR119USP30SMN1; SMN2
SCHEMBL9965957 0.79 KDM5A (0.48) JAK3SSTR4GPR119NR1H2NAMPT
SCHEMBL12835643 0.79 KDM5A (0.48) JAK3SSTR4GPR119NR1H2NAMPT
SCHEMBL16182224 0.79 KDM5A (0.48) JAK3SSTR4GPR119NR1H2NAMPT
SCHEMBL16182182 0.78 JAK3 (0.41) JAK3SSTR4GPR119NR1H2USP30
SCHEMBL9965898 0.78 JAK3 (0.41) JAK3SSTR4GPR119NR1H2USP30
SCHEMBL12835914 0.78 JAK3 (0.41) JAK3SSTR4GPR119NR1H2USP30

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 JAK3 788/4885SSTR4 462/4885GPR119 188/4885

“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.