SCHEMBL9891744

SCHEMBL9891744

CC(=O)N(C)c1ccc(N2C(=O)CCC2C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
PTGER2 P43116 3/20 0.37
PTGER3 P43115 2/20 0.37
MAPT P10636 1/20 0.36
F10 P00742 2/20 0.35
CNR2 P34972 5/20 0.34
F2 P00734 1/20 0.34
MDM2 Q00987 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
POLB P06746 1/20 0.33
PTGDR Q13258 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9891739 0.85 BRD4 (0.39) PTGER2PTGER3CNR2PTGDR
SCHEMBL16480399 0.82 CCNA2 (0.40) SMN1; SMN2PTGER2PTGER3MAPTF10
SCHEMBL9103377 0.80 PHGDH (0.41) SMN1; SMN2PTGER2PTGER3MAPTF10
SCHEMBL9103390 0.80 PHGDH (0.41) SMN1; SMN2PTGER2PTGER3MAPTF10
SCHEMBL9893020 0.79 PTGER2 (0.42) SMN1; SMN2PTGER2PTGER3MAPTMDM2
SCHEMBL9891745 0.79 LMNA (0.36) SMN1; SMN2PTGER2PTGER3CNR2ALDH1A1
SCHEMBL9891746 0.76 CNR2 (0.45) PTGER2PTGER3MAPTCNR2ALDH1A1
SCHEMBL9891736 0.75 ALDH1A1 (0.41) PTGER2PTGER3ALDH1A1RAB9A
SCHEMBL9891740 0.75 HDAC6 (0.42) SMN1; SMN2PTGER2PTGER3CNR2RAB9A
SCHEMBL9891747 0.73 CNR2 (0.47) SMN1; SMN2PTGER2PTGER3MAPTCNR2

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 SMN1; SMN2 4659/4885PTGER2 186/4885PTGER3 200/4885

“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.