SCHEMBL9110238

SCHEMBL9110238

O=C(O)[C@@H]1C[C@H](O)CN1C(=O)C1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
PIK3CD O00329 3/20 0.40
MME P08473 1/20 0.40
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.33
ACE P12821 2/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL9103248 1.00 ATM (0.50) ATMPIK3CDMMENR1H2NR1H3
SCHEMBL16238793 0.87 ATM (0.38) ATMPIK3CDNR1H2NR1H3CNR2
SCHEMBL16480429 0.80 MAPT (0.49) ATMPIK3CDNR1H2NR1H3CNR2
SCHEMBL16480374 0.80 MAPT (0.49) ATMPIK3CDNR1H2NR1H3CNR2
SCHEMBL3434949 0.78 CNR2 (0.40) NR1H2NR1H3CNR2HSD11B1ACE
SCHEMBL3434946 0.78 CNR2 (0.40) NR1H2NR1H3CNR2HSD11B1ACE
SCHEMBL9892998 0.77 PIK3CD (0.42) ATMPIK3CDNR1H2NR1H3CNR2
SCHEMBL9891830 0.77 PIK3CD (0.42) ATMPIK3CDNR1H2NR1H3CNR2
SCHEMBL9891885 0.77 PIK3CD (0.42) ATMPIK3CDNR1H2NR1H3CNR2
SCHEMBL9893119 0.77 PIK3CD (0.42) ATMPIK3CDNR1H2NR1H3CNR2

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ATM 4704/4885PIK3CD 999/4885MME 2876/4885

“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.