SCHEMBL9965876

SCHEMBL9965876

CC(C)(C)OC(=O)N1C[C@@H]2C(c3nnc[nH]3)[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.41
SSTR4 P31391 1/20 0.39
NR1H2 P55055 2/20 0.39
KDM4E B2RXH2 2/20 0.37
JAK1 P23458 2/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NAMPT P43490 1/20 0.36
USP30 Q70CQ3 2/20 0.36
RORC P51449 1/20 0.36
JAK2 O60674 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL12836454 1.00 JAK3 (0.41) JAK3SSTR4NR1H2KDM4EJAK1
SCHEMBL19896198 0.79 JAK3 (0.45) JAK3SSTR4NR1H2KDM4EJAK1
SCHEMBL28815568 0.79 THRB (0.56) JAK3KDM4EJAK1MAPTTHRB
SCHEMBL19896193 0.79 JAK3 (0.45) JAK3SSTR4NR1H2KDM4EJAK1
SCHEMBL19911968 0.79 JAK3 (0.45) JAK3SSTR4NR1H2KDM4EJAK1
SCHEMBL9933803 0.79
SCHEMBL30241680 0.77 NR1H2 (0.40) JAK3SSTR4NR1H2KDM4EMAPT
SCHEMBL28934785 0.77 NR1H2 (0.40) JAK3SSTR4NR1H2KDM4EMAPT
SCHEMBL10189711 0.74 GPR119 (0.43) JAK3SSTR4NR1H2THRBGPR119
SCHEMBL31141592 0.74 NR1H2 (0.43) JAK3SSTR4NR1H2KDM4EMAPT

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 462/4885NR1H2 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.