SCHEMBL25282936

SCHEMBL25282936

CC(C)(C)C1[C@H](Oc2ccc(C(=O)NC3CC3)nc2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.42
PRKAA2 P54646 10/20 0.41
PRKAB2 O43741 5/20 0.40
PRKAG1 P54619 5/20 0.40
PRKAA1 Q13131 5/20 0.40
PRKAG3 Q9UGI9 5/20 0.40
PRKAG2 Q9UGJ0 5/20 0.40
PRKAB1 Q9Y478 5/20 0.40
EPHX2 P34913 2/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
HPGDS O60760 1/20 0.39
NR3C1 P04150 1/20 0.38
CYP3A4 P08684 1/20 0.38
USP30 Q70CQ3 2/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL25286887 0.90 HRH3 (0.46) EPHX2RAF1BRAFUSP30
SCHEMBL25287926 0.90 HRH3 (0.46) EPHX2RAF1BRAFUSP30
SCHEMBL25289169 0.84 HRH3 (0.38) GPR119USP30
SCHEMBL8534571 0.83 LPL (0.41)
SCHEMBL29245339 0.82 PRKAA2 (0.42) GPR119PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL29245338 0.82 PRKAA2 (0.42) GPR119PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL8609796 0.76 LPL (0.41) EPHX2
SCHEMBL25245422 0.76 USP30 (0.48) GPR119PRKAA2EPHX2RAF1BRAF
SCHEMBL31362178 0.76 USP30 (0.48) GPR119PRKAA2EPHX2RAF1BRAF
SCHEMBL25283897 0.74 HRH3 (0.41) EPHX2RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802128-B2 Azetidine and pyrrolidine PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-10-31 US disclosed
US-20230203033-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-06-29 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 (2 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-11802128-B2 Azetidine and pyrrolidine PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 GPR119 2856/4885PRKAA2 135/4885PRKAB2 55/4885
US-20230203033-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 GPR119 3057/4885PRKAA2 129/4885PRKAB2 72/4885

“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.