SCHEMBL9106791

SCHEMBL9106791

CN(C)C(=O)c1cccc(N2C(=O)CC[C@H]2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMM2 O15305 1/20 0.44
MPI P34949 1/20 0.44
PHOSPHO1 Q8TCT1 1/20 0.44
KEAP1 Q14145 4/20 0.42
NFE2L2 Q16236 4/20 0.42
PHGDH O43175 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX7 Q99572 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL9106809 1.00 PMM2 (0.44) PMM2MPIPHOSPHO1KEAP1NFE2L2
SCHEMBL16480488 0.85 PMM2 (0.45) PMM2MPIPHOSPHO1KEAP1NFE2L2
SCHEMBL2570464 0.82 MEN1 (0.55) PHGDHALDH1A1HPGDKDM4ETSHR
SCHEMBL2570466 0.82 MEN1 (0.55) PHGDHALDH1A1HPGDKDM4ETSHR
SCHEMBL9108138 0.82 GAA (0.51) PMM2MPIPHOSPHO1ALDH1A1HPGD
SCHEMBL9108147 0.82 GAA (0.51) PMM2MPIPHOSPHO1ALDH1A1HPGD
SCHEMBL9891742 0.81 PMM2 (0.43) PMM2MPIPHOSPHO1KEAP1NFE2L2
SCHEMBL9892977 0.81 PMM2 (0.43) PMM2MPIPHOSPHO1KEAP1NFE2L2
SCHEMBL9107918 0.79 P2RX7 (0.54) ALDH1A1KDM4ETSHRCYP1A2CYP3A4
SCHEMBL9107908 0.79 P2RX7 (0.54) ALDH1A1KDM4ETSHRCYP1A2CYP3A4

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
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
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 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.