SCHEMBL454274

SCHEMBL454274

CNC(c1ccc(C(F)(F)F)cc1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
PDE2A O00408 6/20 0.42
HRH3 Q9Y5N1 3/20 0.42
HRH1 P35367 2/20 0.42
HRH4 Q9H3N8 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 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
SCHEMBL434632 0.89 PDE2A (0.46) PDE2A
SCHEMBL20217195 0.79 SMYD3 (0.49)
SCHEMBL948775 0.77 PDE2A (0.47) SLC6A2SLC6A4PDE2A
SCHEMBL4236603 0.76 HTR2C (0.53) HTR2CSLC6A2SLC6A4PDE2AHRH3
SCHEMBL4236604 0.76 HTR2C (0.53) HTR2CSLC6A2SLC6A4PDE2AHRH3
SCHEMBL3660818 0.74 SLC6A2 (0.58) HTR2CSLC6A2SLC6A4
SCHEMBL382534 0.74 HPGD (0.41) HTR2CSLC6A2SLC6A4
SCHEMBL14787805 0.73 AKT1S1 (0.51) HTR2CSLC6A2SLC6A4HRH3HRH1
Formic Acid SCHEMBL21381877 0.72 SLC6A2 (0.47) HTR2CSLC6A2SLC6A4HRH3HRH1
SCHEMBL4028129 0.72 TACR1 (0.38) PDE2A

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 10 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-2234973-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-07-02 EP disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 US 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed
EP-2234973-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2010-10-06 EP disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 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 (2 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO HTR2C 3378/4885SLC6A2 2453/4885SLC6A4 2026/4885
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO HTR2C 3378/4885SLC6A2 2453/4885SLC6A4 2026/4885

“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.