SCHEMBL382934

SCHEMBL382934

O=C(O)CCCN1CCN(c2ccc(C(F)(F)F)nc2)CC1.[LiH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
DHFR P00374 1/20 0.46
CHRM4 P08173 2/20 0.45
DRD4 P21917 5/20 0.43
DRD2 P14416 4/20 0.43
HTR1A P08908 4/20 0.43
HTR2A P28223 3/20 0.43
DRD3 P35462 3/20 0.43
HTR7 P34969 3/20 0.43
PARP1 P09874 1/20 0.42
CYP3A4 P08684 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
CACNA1G O43497 1/20 0.40
GAA P10253 1/20 0.40
TGM2 P21980 1/20 0.40
SLC6A9 P48067 1/20 0.40
SLC6A2 P23975 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
SCHEMBL12042051 0.99 PPARD (0.52) PPARDPPARADHFRCHRM4DRD4
SCHEMBL382533 0.93 PPARD (0.53) PPARDPPARADHFRCHRM4HTR1A
SCHEMBL12042004 0.91 PPARD (0.53) PPARDPPARADHFRCHRM4HTR1A
Lithium Ion SCHEMBL9985145 0.88 PPARD (0.48) PPARDPPARADHFRCHRM4DRD4
Lithium Ion SCHEMBL9985376 0.83 PPARD (0.50) PPARDPPARADHFRCHRM4HTR1A
SCHEMBL381636 0.81 DRD2 (0.60) PPARDPPARADRD4DRD2HTR1A
SCHEMBL12041413 0.80 DRD2 (0.61) PPARDPPARADRD4DRD2HTR1A
SCHEMBL12059558 0.78 HRH3 (0.44) PPARDPPARADHFRCHRM4DRD4
SCHEMBL381347 0.76 SMN1; SMN2 (0.55) PPARDPPARADRD4DRD2HTR1A
SCHEMBL6890111 0.75 DHFR (0.54) PPARDPPARADHFRCHRM4PARP1

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.