SCHEMBL9892977

SCHEMBL9892977

CCC1CCC(=O)N1c1cccc(C(=O)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMM2 O15305 1/20 0.43
MPI P34949 1/20 0.43
PHOSPHO1 Q8TCT1 1/20 0.43
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KEAP1 Q14145 3/20 0.39
NFE2L2 Q16236 3/20 0.39
PTGER2 P43116 1/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 1/20 0.38
CECR2 Q9BXF3 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 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
SCHEMBL16480488 0.84 PMM2 (0.45) PMM2MPIPHOSPHO1ALDH1A1KDM4E
SCHEMBL9893047 0.83 MEN1 (0.54) ALDH1A1KDM4ETSHRSMN1; SMN2PTGER2
SCHEMBL9893022 0.83 GAA (0.50) PMM2MPIPHOSPHO1ALDH1A1HPGD
SCHEMBL9106791 0.81 PMM2 (0.44) PMM2MPIPHOSPHO1ALDH1A1KDM4E
SCHEMBL9106809 0.81 PMM2 (0.44) PMM2MPIPHOSPHO1ALDH1A1KDM4E
SCHEMBL9891742 0.81 PMM2 (0.43) PMM2MPIPHOSPHO1ALDH1A1KDM4E
SCHEMBL1937310 0.77 DDB1 (0.41) ALDH1A1KDM4EPTGER2MEN1KMT2A
SCHEMBL9892975 0.75 PTGER2 (0.44) SMN1; SMN2PTGER2MEN1KMT2ANPSR1
SCHEMBL9893103 0.73 NSD2 (0.45) DRD2
SCHEMBL9893020 0.71 PTGER2 (0.42) ALDH1A1SMN1; SMN2PTGER2LMNAMAP4K1

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 PMM2 3897/4885MPI 2474/4885PHOSPHO1 864/4885

“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.