SCHEMBL6139613

SCHEMBL6139613

CC(=O)OC[C@@H]1C[C@H]1N(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NLRP3 Q96P20 2/20 0.33
PDK1 Q15118 1/20 0.30

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
SCHEMBL6138443 1.00 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10NLRP3PDK1
SCHEMBL6139399 1.00 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10NLRP3PDK1
Hydrochloric Acid SCHEMBL6294710 0.98 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10NLRP3
Hydrochloric Acid SCHEMBL6294140 0.98 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10NLRP3
Hydrochloric Acid SCHEMBL6294142 0.98 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10NLRP3
SCHEMBL6138064 0.74 NLRP3 (0.34) ALDH1A1LMNAHSD17B10NLRP3
SCHEMBL13003493 0.74
SCHEMBL24912279 0.73 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10NLRP3PDK1
SCHEMBL17550206 0.73 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10NLRP3PDK1
SCHEMBL25840120 0.72

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170281-B1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2005-12-21 EP claimed
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds ADIR ET COMPAGNIE (FR) 2002-02-21 US claimed
US-6943184-B2 1,1- and 1,2-disubstituted cyclopropane compounds LES LABORATORIES SERVIER (FR) 2005-09-13 US disclosed
US-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds GOLDSTEIN SOLO (FR) 2005-02-10 US disclosed
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds ADIR ET COMPAGNIE (FR) 2002-02-21 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 (2 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-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds CHRNA1, CHRNA4, CHRNB1 ALDH1A1 582/4885LMNA 3499/4885HSD17B10 764/4885
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds HCAR1, CHRNA1, CNR1 ALDH1A1 575/4885LMNA 3399/4885HSD17B10 435/4885

“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.