SCHEMBL9892998

SCHEMBL9892998

CCC1C[C@@H](O)CN1C(=O)C1CCC(F)(F)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.42
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.31
CETP P11597 1/20 0.30
DPP4 P27487 2/20 0.30
DPP8 Q6V1X1 2/20 0.30
DPP9 Q86TI2 2/20 0.30

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
SCHEMBL9893119 1.00 PIK3CD (0.42) PIK3CDMAPTHSD11B1NR1H2NR1H3
SCHEMBL16480429 0.81 MAPT (0.49) PIK3CDMAPTHSD11B1NR1H2NR1H3
SCHEMBL16480374 0.81 MAPT (0.49) PIK3CDMAPTHSD11B1NR1H2NR1H3
SCHEMBL19711138 0.79 PIK3CD (0.61) PIK3CDMAPTGAATSHRATM
SCHEMBL9892937 0.79 HSD11B1 (0.39) MAPTHSD11B1NR1H2NR1H3GAA
SCHEMBL9893108 0.78 HSD11B1 (0.36) MAPTHSD11B1NR1H2NR1H3GAA
SCHEMBL9891830 0.77 PIK3CD (0.42) PIK3CDMAPTHSD11B1NR1H2NR1H3
SCHEMBL9891885 0.77 PIK3CD (0.42) PIK3CDMAPTHSD11B1NR1H2NR1H3
SCHEMBL9110238 0.77 ATM (0.50) PIK3CDMAPTHSD11B1NR1H2NR1H3
SCHEMBL9103248 0.77 ATM (0.50) PIK3CDMAPTHSD11B1NR1H2NR1H3

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-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 PIK3CD 999/4885MAPT 4057/4885HSD11B1 3537/4885

“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.