SCHEMBL454688

SCHEMBL454688

CC(C)(C)c1ccc(N2CC3CN(CCC(=O)O)CC3C2)cc1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.44
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
ACACB O00763 3/20 0.41
HSD11B1 P28845 6/20 0.39
HTR7 P34969 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GCGR P47871 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
SCHEMBL12042008 0.99 NR1H4 (0.45) NR1H4PTGER3PTGER2ACACBHSD11B1
Lithium Ion SCHEMBL454687 0.86 HSD11B1 (0.41) NR1H4ACACBHSD11B1HTR7LMNA
SCHEMBL381875 0.82 HTR1A (0.50) NR1H4HTR7ITGB3ITGA2BLMNA
SCHEMBL12041659 0.81 HTR1A (0.51) NR1H4HTR7ITGB3ITGA2BLMNA
SCHEMBL381362 0.75 ALDH1A1 (0.51) PTGER3PTGER2HTR7LMNAMAPT
SCHEMBL454689 0.74 NR1H4 (0.40) NR1H4PTGER3PTGER2ACACBLMNA
SCHEMBL462264 0.74 HRH3 (0.50) NR1H4PTGER3PTGER2HSD11B1LMNA
SCHEMBL12041897 0.73 ALDH1A1 (0.52) PTGER3PTGER2HTR7LMNAMAPT
SCHEMBL12042054 0.72 HRH3 (0.51) NR1H4PTGER3PTGER2HSD11B1LMNA
SCHEMBL463204 0.71 PTGER2 (0.53) NR1H4PTGER3PTGER2HSD11B1LMNA

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
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO NR1H4 1493/4885PTGER3 1933/4885PTGER2 2357/4885

“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.