SCHEMBL457489

SCHEMBL457489

O=C(O)CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
DRD4 P21917 1/20 0.56
CA2 P00918 3/20 0.55
CA9 Q16790 2/20 0.55
CA1 P00915 2/20 0.55
CA7 P43166 2/20 0.55
CA12 O43570 1/20 0.54
HTR1A P08908 6/20 0.51
AKR1C3 P42330 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
HTR7 P34969 2/20 0.50
HTR2A P28223 2/20 0.50
DRD3 P35462 1/20 0.50
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
HTR2C P28335 1/20 0.48

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
SCHEMBL12041888 0.99 DRD2 (0.57) DRD2DRD4CA2CA9CA1
SCHEMBL381636 0.92 DRD2 (0.60) DRD2DRD4CA2CA9CA1
SCHEMBL12041413 0.90 DRD2 (0.61) DRD2DRD4CA2CA9CA1
SCHEMBL381470 0.87 FFAR1 (0.59) CA2CA9CA1CA7HTR1A
SCHEMBL381875 0.86 HTR1A (0.50) DRD2DRD4HTR1AHTR7DRD3
SCHEMBL12041675 0.86 FFAR1 (0.60) CA2CA9CA1CA7HTR1A
Lithium Ion SCHEMBL9983742 0.84 CA2 (0.56) DRD2DRD4CA2CA9CA1
SCHEMBL12041659 0.84 HTR1A (0.51) DRD2DRD4HTR1AHTR7DRD3
SCHEMBL20271782 0.84 CA2 (0.57) DRD2DRD4CA2CA9CA1
SCHEMBL2111769 0.82 SIGMAR1 (0.67) DRD2HTR1AHTR7DRD3

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 DRD2 3527/4885DRD4 3926/4885CA2 57/4885

“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.