SCHEMBL462264

SCHEMBL462264

CC(C)(C)c1ccc(N2CCC(CCC(=O)O)CC2)cc1.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HSD11B1 P28845 3/20 0.43
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GCGR P47871 1/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL12042054 0.99 HRH3 (0.51) HRH3PTGER3PTGER2MAPTLMNA
SCHEMBL463204 0.93 PTGER2 (0.53) HRH3PTGER3PTGER2MAPTLMNA
SCHEMBL12042028 0.92 PTGER2 (0.54) HRH3PTGER3PTGER2MAPTLMNA
Lithium Ion SCHEMBL462265 0.86 HRH3 (0.48) HRH3PTGER3PTGER2MAPTLMNA
SCHEMBL382242 0.86 NOTUM (0.58) HRH3NOTUM
SCHEMBL462291 0.85 HRH3 (0.47) HRH3PTGER2MAPTLMNACNR1
SCHEMBL381916 0.84 NOTUM (0.52) MAPTLMNAALDH1A1NOTUM
SCHEMBL12042040 0.84 NOTUM (0.59) HRH3NOTUM
SCHEMBL12042046 0.82 NOTUM (0.54) MAPTLMNAALDH1A1NOTUM
SCHEMBL15651683 0.82 GFER (0.46) MAPTLMNAUSP2ALDH1A1KDM4E

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 HRH3 311/4885PTGER3 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.