SCHEMBL9891916

SCHEMBL9891916

CC(C)C(=O)Nc1cc(CC(C)(C)C)no1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.57
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.37
CNR2 P34972 3/20 0.37
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9893071 0.84 MAPK14 (0.56) MAPK14ALDH1A1LMNASMN1; SMN2CNR2
SCHEMBL9891519 0.83 MAPK14 (0.55) MAPK14ALDH1A1LMNASMN1; SMN2CNR2
SCHEMBL9892904 0.82 MAPK14 (0.54) MAPK14ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL9891802 0.80 MAPK14 (0.48) MAPK14ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL9891808 0.76 ALDH1A1 (0.67) MAPK14ALDH1A1CNR2
SCHEMBL9891815 0.76 CNR2 (0.54) MAPK14ALDH1A1CNR2
SCHEMBL9892845 0.75 MAPK14 (0.48) MAPK14ALDH1A1CNR2CCNE2CCNE1
SCHEMBL10171265 0.75 ALDH1A1 (0.53) MAPK14ALDH1A1RAB9ACNR2
SCHEMBL11966198 0.74 MAPK14 (0.53) MAPK14ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL15000477 0.74 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2RAB9AKMT2A

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 MAPK14 1949/4885ALDH1A1 3279/4885LMNA 4696/4885

“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.