SCHEMBL382533

SCHEMBL382533

O=C(O)CCN1CCN(c2ccc(C(F)(F)F)nc2)CC1.[LiH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
DHFR P00374 1/20 0.47
CHRM4 P08173 2/20 0.46
CYP3A4 P08684 2/20 0.44
PARP1 P09874 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HTR1A P08908 5/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
HTR7 P34969 2/20 0.42
SLC6A9 P48067 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LCAT P04180 1/20 0.40

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
SCHEMBL12042004 0.99 PPARD (0.53) PPARDPPARADHFRCHRM4CYP3A4
SCHEMBL382934 0.93 PPARD (0.51) PPARDPPARADHFRCHRM4CYP3A4
SCHEMBL12042051 0.91 PPARD (0.52) PPARDPPARADHFRCHRM4CYP3A4
Lithium Ion SCHEMBL9985376 0.88 PPARD (0.50) PPARDPPARADHFRCHRM4CYP3A4
Lithium Ion SCHEMBL9985145 0.83 PPARD (0.48) PPARDPPARADHFRCHRM4CYP3A4
SCHEMBL457489 0.80 DRD2 (0.56) PPARDPPARAHTR1ACA1CA2
SCHEMBL12041888 0.79 DRD2 (0.57) PPARDPPARAHTR1ACA1CA2
SCHEMBL6890111 0.77 DHFR (0.54) PPARDPPARADHFRCHRM4CYP3A4
SCHEMBL13447351 0.75 DHFR (0.58) PPARDPPARADHFRCYP3A4PARP1
SCHEMBL12059565 0.75 CCNC (0.42) PPARDPPARACHRM4HRH3HTR1A

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 PPARD 3292/4885PPARA 3571/4885DHFR 342/4885

“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.