SCHEMBL9965898

SCHEMBL9965898

CC(C)(C)OC(=O)N1C[C@@H]2C(c3ncno3)[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.41
GPR119 Q8TDV5 4/20 0.39
NR1H2 P55055 1/20 0.39
NAMPT P43490 1/20 0.39
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK1 P23458 1/20 0.37
SSTR4 P31391 1/20 0.37
PIK3CD O00329 1/20 0.36
GABRA5 P31644 1/20 0.36
USP30 Q70CQ3 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MAP4K4 O95819 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
SCHEMBL16182182 1.00 JAK3 (0.41) JAK3GPR119NR1H2NAMPTUSP2
SCHEMBL12835914 1.00 JAK3 (0.41) JAK3GPR119NR1H2NAMPTUSP2
SCHEMBL9933720 0.79 KDM5A (0.30)
SCHEMBL9965901 0.78 JAK3 (0.40) JAK3GPR119NR1H2NAMPTUSP2
SCHEMBL16187765 0.76 GPR119 (0.43) JAK3GPR119NR1H2NAMPTUSP2
SCHEMBL9965879 0.76 GPR119 (0.43) JAK3GPR119NR1H2USP2SMN1; SMN2
SCHEMBL9965941 0.76 GPR119 (0.43) JAK3GPR119NR1H2NAMPTUSP2
SCHEMBL16182173 0.76 GPR119 (0.43) JAK3GPR119NR1H2USP2SMN1; SMN2
SCHEMBL10189711 0.76 GPR119 (0.43) JAK3GPR119NR1H2NAMPTUSP2
SCHEMBL12836453 0.76 GPR119 (0.43) JAK3GPR119NR1H2USP2SMN1; SMN2

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 788/4885GPR119 188/4885NR1H2 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.