SCHEMBL863278

SCHEMBL863278

CCCC(=O)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.78
ALDH1A1 P00352 5/20 0.78
HRH2 P25021 5/20 0.78
HRH1 P35367 5/20 0.78
LMNA P02545 4/20 0.78
HRH3 Q9Y5N1 2/20 0.78
CYP1A2 P05177 1/20 0.78
CHRM2 P08172 1/20 0.78
CHRM4 P08173 1/20 0.78
CHRM5 P08912 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
ADRA2C P18825 1/20 0.78
DRD4 P21917 1/20 0.78
ACHE P22303 1/20 0.78
SLC6A2 P23975 1/20 0.78
HTR2A P28223 1/20 0.78
ADRA1A P35348 1/20 0.78
SLC6A3 Q01959 1/20 0.78
PDE4D Q08499 1/20 0.78

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
SCHEMBL14287618 0.99 THRB (0.81) THRBALDH1A1HRH2HRH1LMNA
SCHEMBL491776 0.92 HRH2 (0.83) THRBALDH1A1HRH2HRH1LMNA
SCHEMBL5856363 0.91 HRH2 (0.81) THRBALDH1A1HRH2HRH1LMNA
SCHEMBL16626280 0.89 SMN1; SMN2 (0.78) THRBALDH1A1HRH2HRH1LMNA
SCHEMBL863522 0.88 SMN1; SMN2 (0.81) THRBALDH1A1HRH2HRH1LMNA
Dyclonine SCHEMBL25773 0.88 THRB (1.00) THRBALDH1A1HRH2HRH1LMNA
SCHEMBL29378842 0.88 ALDH1A1 (0.97) THRBALDH1A1HRH2HRH1LMNA
SCHEMBL29766083 0.88 THRB (1.00) THRBALDH1A1HRH2HRH1LMNA
Propipocaine SCHEMBL25430 0.88 ALDH1A1 (0.97) THRBALDH1A1HRH2HRH1LMNA
SCHEMBL14287617 0.87 SMN1; SMN2 (0.76) THRBALDH1A1HRH2HRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205451-A1 NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-11-30 WO claimed
EP-2619184-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2018-05-23 EP disclosed
WO-2017205451-A1 NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-11-30 WO disclosed
US-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UNIV MICHIGAN (US) 2014-12-04 US disclosed
US-8809377-B2 Deubiquitinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-19 US disclosed
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 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 (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-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 THRB 4510/4885ALDH1A1 2619/4885HRH2 3933/4885
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 THRB 4510/4885ALDH1A1 2619/4885HRH2 3933/4885

“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.