SCHEMBL381806

SCHEMBL381806

O=C(O)CCCC1CCN(c2ccc(C(F)(F)F)cc2)CC1.[LiH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
CHRM2 P08172 3/20 0.51
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
AKR1C3 P42330 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
CHRM4 P08173 1/20 0.44
DEGS1 O15121 1/20 0.44
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43
SERPINE1 P05121 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
SCHEMBL12042021 0.99 NOTUM (0.56) NOTUMCHRM2SLC6A2SLC6A4HRH4
SCHEMBL382242 0.93 NOTUM (0.58) NOTUMCHRM2SLC6A2SLC6A4HRH4
SCHEMBL12042040 0.92 NOTUM (0.59) NOTUMCHRM2SLC6A2SLC6A4HRH4
SCHEMBL463204 0.87 PTGER2 (0.53) HRH3FFAR4
Lithium Ion SCHEMBL381807 0.86 NOTUM (0.50) NOTUMCHRM2SLC6A2SLC6A4HRH4
SCHEMBL12042028 0.85 PTGER2 (0.54) HRH3FFAR4
SCHEMBL1410681 0.85 NOTUM (0.63) NOTUMCHRM2SLC6A2SLC6A4HRH4
SCHEMBL548108 0.84 NOTUM (0.59) NOTUMHRH3CHRM4
SCHEMBL381626 0.84 CHRM2 (0.48) NOTUMCHRM2SLC6A2SLC6A4HRH4
SCHEMBL12508738 0.83 NOTUM (0.59) NOTUMCHRM2SLC6A2SLC6A4HRH4

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 NOTUM 157/4885CHRM2 2787/4885SLC6A2 2453/4885

“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.