SCHEMBL462291

SCHEMBL462291

COC(=O)CCC1CCN(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GFER P55789 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HSD11B1 P28845 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGER2 P43116 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CHRM4 P08173 2/20 0.41

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
SCHEMBL460572 0.92 PTGER2 (0.46) HRH3ALDH1A1GFERKDM4EHTT
SCHEMBL382501 0.88 CHRM2 (0.50) HRH3MAPTLMNATP53CHRM4
SCHEMBL12042054 0.86 HRH3 (0.51) HRH3ALDH1A1GFERKDM4EHTT
SCHEMBL382303 0.85 MAPT (0.49) ALDH1A1HTTMAPTLMNATP53
SCHEMBL462264 0.85 HRH3 (0.50) HRH3ALDH1A1GFERKDM4EHTT
SCHEMBL380124 0.84 USP2 (0.57) ALDH1A1KDM4EMAPTUSP2HDAC3
Lithium Ion SCHEMBL462265 0.83 HRH3 (0.48) HRH3ALDH1A1GFERKDM4EHTT
SCHEMBL381626 0.81 CHRM2 (0.48) HRH3MAPTLMNATP53CHRM4
SCHEMBL12042028 0.80 PTGER2 (0.54) HRH3ALDH1A1KDM4EHTTMAPT
SCHEMBL12041657 0.80 MEN1 (0.52) HRH3ALDH1A1GFERKDM4EHTT

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 11 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
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
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-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
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US 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
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 311/4885ALDH1A1 864/4885GFER 1521/4885

“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.