SCHEMBL9891810

SCHEMBL9891810

CCC(C)c1cc(NC(=O)C(C)C)on1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MAPK14 Q16539 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NEK7 Q8TDX7 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2B P29275 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 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
SCHEMBL13284939 0.86 ALDH1A1 (0.51) ALDH1A1LMNAMAPK14SMN1; SMN2NEK7
SCHEMBL9893106 0.84 ALDH1A1 (0.57) ALDH1A1LMNAMAPK14SMN1; SMN2NEK7
SCHEMBL9891811 0.83 ALDH1A1 (0.64) ALDH1A1LMNAMAPK14SMN1; SMN2RAB9A
SCHEMBL13015651 0.82 ALDH1A1 (0.48) ALDH1A1LMNAMAPK14SMN1; SMN2NEK7
SCHEMBL23966930 0.76 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL2678545 0.76 ALDH1A1 (0.45) ALDH1A1LMNAMAPK14SMN1; SMN2NEK7
SCHEMBL9891802 0.75 MAPK14 (0.48) ALDH1A1LMNAMAPK14SMN1; SMN2RAB9A
SCHEMBL15000477 0.75 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2RAB9AADORA2B
SCHEMBL27605122 0.74 CYP1A2 (0.54) ALDH1A1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL13413822 0.73 ALDH1A1 (0.46) ALDH1A1LMNAMAPK14RAB9A

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

“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.