SCHEMBL4908872

SCHEMBL4908872

CC(C)(C)OC(=O)N1CCC1c1cc(-c2ccccn2)no1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.44
GPR119 Q8TDV5 3/20 0.43
SCD5 Q86SK9 1/20 0.42
HCRTR2 O43614 6/20 0.41
HCRTR1 O43613 5/20 0.41
GRM5 P41594 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL4918972 1.00 USP30 (0.44) USP30GPR119SCD5HCRTR2HCRTR1
SCHEMBL3852498 0.95 SCD5 (0.48) USP30GPR119SCD5HCRTR2HCRTR1
SCHEMBL3859454 0.95 SCD5 (0.48) USP30GPR119SCD5HCRTR2HCRTR1
SCHEMBL4917620 0.88 USP30 (0.43) USP30GPR119HCRTR2HCRTR1GRM5
SCHEMBL4917611 0.88 USP30 (0.43) USP30GPR119HCRTR2HCRTR1GRM5
SCHEMBL4914288 0.85 HCRTR1 (0.47) USP30GPR119HCRTR2HCRTR1GRM5
SCHEMBL4914297 0.85 HCRTR1 (0.47) USP30GPR119HCRTR2HCRTR1GRM5
SCHEMBL5130360 0.85 CYP1A2 (0.41) USP30GPR119SCD5HCRTR2GRM5
SCHEMBL5122491 0.85 CYP1A2 (0.41) USP30GPR119SCD5HCRTR2GRM5
SCHEMBL5119061 0.85 CYP1A2 (0.41) USP30GPR119SCD5HCRTR2GRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity ASTRAZENECA AB (SE) 2008-07-03 US disclosed
EP-1863797-A1 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006100461-A1 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-09-28 WO 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-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity IGF1R, IGFBP1, IGFBP2 USP30 4450/4885GPR119 9/4885SCD5 4337/4885

“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.