SCHEMBL13601497

SCHEMBL13601497

CCCCOC(=O)CCN1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.56
THRA P10827 3/20 0.56
ALDH1A1 P00352 4/20 0.46
HRH2 P25021 4/20 0.46
HRH1 P35367 4/20 0.46
LMNA P02545 3/20 0.46
DGKA P23743 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD4 P21917 1/20 0.46
ACHE P22303 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 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
SCHEMBL673095 0.95 DGKA (0.50) THRBTHRAALDH1A1HRH2HRH1
SCHEMBL11598618 0.95 DGKA (0.50) THRBTHRAALDH1A1HRH2HRH1
SCHEMBL499698 0.94 THRB (0.60) THRBTHRALMNADGKAMAPT
SCHEMBL13601500 0.94 THRB (0.60) THRBTHRALMNADGKAMAPT
SCHEMBL18068757 0.92 THRB (0.51) THRBTHRAALDH1A1HRH2HRH1
SCHEMBL123476 0.90 THRB (0.48) THRBTHRAALDH1A1HRH2HRH1
SCHEMBL12014425 0.88 ALDH1A1 (0.57) THRBTHRAALDH1A1HRH2HRH1
SCHEMBL822424 0.88 THRB (0.47) THRBTHRAALDH1A1HRH2HRH1
SCHEMBL4979398 0.88 NAAA (0.56) THRBTHRALMNADGKAMAPT
SCHEMBL11711713 0.88 NAAA (0.56) THRBTHRALMNADGKAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2018-08-09 US disclosed
US-9968554-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-05-15 US disclosed
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US 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-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 THRB 3314/4885THRA 3510/4885ALDH1A1 1273/4885

“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.