SCHEMBL9965923

SCHEMBL9965923

CC(C)(C)OC(=O)N1C[C@@H]2C(c3nnc(CC(F)(F)F)o3)[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 2/20 0.37
JAK3 P52333 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LIPE Q05469 2/20 0.36
NAMPT P43490 1/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL16182181 1.00 NR1H2 (0.38) NR1H2SMN1; SMN2GAATHRBMAPT
SCHEMBL9965924 0.82 NR1H2 (0.40) NR1H2SMN1; SMN2GAATHRBMAPT
SCHEMBL12835905 0.82 NR1H2 (0.40) NR1H2SMN1; SMN2GAATHRBMAPT
SCHEMBL8283578 0.81 SMN1; SMN2 (0.55) SMN1; SMN2GAATHRBMAPTALDH1A1
SCHEMBL9963083 0.80 NR1H2 (0.40) NR1H2SMN1; SMN2GAATHRBMAPT
SCHEMBL9965957 0.80 KDM5A (0.48) NR1H2SMN1; SMN2GAATHRBMAPT
SCHEMBL14641877 0.80 NR1H2 (0.40) NR1H2SMN1; SMN2GAATHRBMAPT
SCHEMBL12835643 0.80 KDM5A (0.48) NR1H2SMN1; SMN2GAATHRBMAPT
SCHEMBL16182224 0.80 KDM5A (0.48) NR1H2SMN1; SMN2GAATHRBMAPT
SCHEMBL9965918 0.79 SMN1; SMN2 (0.47) NR1H2SMN1; SMN2GAATHRBMAPT

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 NR1H2 122/4885SMN1; SMN2 3655/4885GAA 2706/4885

“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.