SCHEMBL461854

SCHEMBL461854

CC(CN1CCN(c2ccc(C(C)(C)C)cc2)CC1)C(=O)O.[LiH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GFER P55789 2/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 2/20 0.42
DRD4 P21917 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
SCHEMBL12042014 0.99 MAPT (0.52) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL454734 0.88 PPARD (0.51) ALDH1A1CA12CA1CA2CA9
SCHEMBL9984708 0.86 PPARD (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL455662 0.86 PPARD (0.52) ALDH1A1CA12CA1CA2CA9
Lithium Ion SCHEMBL9984431 0.85 MAPT (0.50) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL381137 0.84 MAPT (0.55) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL381655 0.83 SMN1; SMN2 (0.58) MAPTALDH1A1KMT2AMEN1GFER
SCHEMBL12041786 0.82 SMN1; SMN2 (0.59) MAPTALDH1A1KMT2AMEN1GFER
SCHEMBL21706918 0.81 MAPT (0.60) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL19107611 0.80 ALDH1A1 (0.60) MAPTALDH1A1KDM4EKMT2AMEN1

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 MAPT 1648/4885ALDH1A1 864/4885KDM4E 2245/4885

“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.