SCHEMBL9892349

SCHEMBL9892349

CCCc1cc(NC(=O)C(C)(C)C)on1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
RPS6KA2 Q15349 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CNR2 P34972 8/20 0.40
ADORA2B P29275 1/20 0.39
HSP90AB1 P08238 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9891519 0.83 MAPK14 (0.55) MAPK14ALDH1A1CNR2SMN1; SMN2CNR1
SCHEMBL9893070 0.83 MAPK14 (0.47) MAPK14RPS6KA2ALDH1A1ADORA2BSMN1; SMN2
SCHEMBL9891802 0.80 MAPK14 (0.48) MAPK14RPS6KA2ALDH1A1ADORA2BSMN1; SMN2
SCHEMBL11738978 0.79 MAPK14 (0.44) MAPK14RPS6KA2ALDH1A1ADORA2BSMN1; SMN2
SCHEMBL3660761 0.79 CNR2 (0.42) MAPK14RPS6KA2CNR2CNR1
SCHEMBL1464962 0.78 CNR2 (0.47) MAPK14CNR2CNR1
SCHEMBL1465876 0.77 CNR2 (0.59) MAPK14CNR2CNR1
SCHEMBL14300148 0.76 RPS6KA2 (0.39) MAPK14RPS6KA2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1465041 0.75 RAB9A (0.42) MAPK14CNR2CNR1RAB9ANPC1
SCHEMBL1464712 0.75 MMP9 (0.45) MAPK14CNR2CNR1

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 MAPK14 1949/4885RPS6KA2 643/4885ALDH1A1 3279/4885

“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.