SCHEMBL381875

SCHEMBL381875

CC(C)(C)c1ccc(N2CCN(CCC(=O)O)CC2)cc1.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.50
HTR7 P34969 2/20 0.50
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 4/20 0.47
DRD4 P21917 3/20 0.47
HRH3 Q9Y5N1 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL12041659 0.99 HTR1A (0.51) HTR1AHTR7ITGB3ITGA2BMEN1
SCHEMBL381362 0.92 ALDH1A1 (0.51) HTR1AHTR7DRD2DRD4HRH3
SCHEMBL12041897 0.90 ALDH1A1 (0.52) HTR1AHTR7DRD2DRD4HRH3
SCHEMBL9984306 0.87 DRD2 (0.49) HTR1AHTR7DRD2DRD4HRH3
SCHEMBL457489 0.86 DRD2 (0.56) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL12042061 0.85 DRD2 (0.50) HTR1AHTR7DRD2DRD4HRH3
Lithium Ion SCHEMBL9983843 0.84 MEN1 (0.47) HTR1AHTR7MEN1KMT2ADRD2
SCHEMBL12041888 0.84 DRD2 (0.57) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL12041657 0.83 MEN1 (0.52) HTR1AHTR7MEN1KMT2ADRD2
SCHEMBL454688 0.82 NR1H4 (0.44) HTR7ITGB3ITGA2BNR1H4MAPT

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 HTR1A 3430/4885HTR7 2531/4885ITGB3 3524/4885

“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.