SCHEMBL460673

SCHEMBL460673

CCOC(=O)CCCN1CCN(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
HRH2 P25021 2/20 0.50
HRH1 P35367 2/20 0.50
DRD4 P21917 7/20 0.47
DRD2 P14416 6/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE7A Q13946 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL381687 0.89 DRD2 (0.57) DRD4DRD2HTR1AHTR7SLC6A2
SCHEMBL7949588 0.87 SLC6A4 (0.49) HRH3HRH2HRH1DRD4DRD2
SCHEMBL7959941 0.85 CACNA1G (0.60) HRH1DRD4DRD2GAASMN1; SMN2
SCHEMBL2388474 0.85 GFER (0.52) HRH3HRH2HRH1DRD4DRD2
SCHEMBL7957399 0.85 DRD2 (0.58) HRH1DRD4DRD2LMNAGAA
SCHEMBL8160104 0.85 HTR1A (0.58) HRH3HRH2HRH1DRD4DRD2
SCHEMBL12041897 0.83 ALDH1A1 (0.52) HRH3HRH1DRD4DRD2LMNA
SCHEMBL381362 0.82 ALDH1A1 (0.51) HRH3HRH1DRD4DRD2LMNA
Hydrochloric Acid SCHEMBL8838070 0.81 HRH3 (0.56) HRH3HRH2HRH1DRD4
SCHEMBL7957305 0.81 DRD2 (0.56) HRH1DRD4DRD2LMNAGAA

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 11 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
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
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-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
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US 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
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 HRH3 311/4885HRH2 256/4885HRH1 335/4885

“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.