SCHEMBL21786640

SCHEMBL21786640

CC(C)(N)CCNC(C)(C)CN

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.30
GRM4 Q14833 1/20 0.30

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
SCHEMBL13350793 0.85 GRM4 (0.30) GRM4
SCHEMBL13897919 0.80 GRM4 (0.30) GRM4
SCHEMBL22043180 0.76 GRM4 (0.37) GRM4
SCHEMBL7035084 0.76
SCHEMBL19171435 0.76 GRM4 (0.33) GRM4
SCHEMBL13079809 0.76 GRM4 (0.33) GRM4
SCHEMBL25475910 0.75
SCHEMBL22681029 0.75
SCHEMBL8992578 0.74 CYP2D6 (0.33) CYP2D6
SCHEMBL11184471 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140518-A1 NON-CATIONIC SOFTENERS AND METHODS OF USE ECOLAB USA INC. (US) 2022-06-30 WO disclosed
US-11359291-B2 Use of multiple charged cationic compounds derived from polyamines and compositions thereof for corrosion inhibition in a water system ECOLAB USA INC. (US) 2022-06-14 US disclosed
US-20220154349-A1 USE OF MULTIPLE CHARGED CATIONIC COMPOUNDS DERIVED FROM POLYAMINES AND COMPOSITIONS THEREOF FOR CORROSION INHIBITION IN A WATER SYSTEM ECOLAB USA INC. 2022-05-19 US disclosed
US-20220119342-A1 MULTIPLE CHARGED IONIC COMPOUNDS DERIVED FROM POLYAMINES AND COMPOSITIONS THEREOF AND METHODS OF PREPARATION THEREOF ECOLAB USA INC. 2022-04-21 US disclosed
US-11236040-B2 Multiple charged ionic compounds derived from polyamines and compositions thereof and methods of preparation thereof ECOLAB USA INC. (US) 2022-02-01 US disclosed
US-20210298300-A1 USE OF MULTIPLE CHARGED CATIONIC COMPOUNDS DERIVED FROM PRIMARY AMINES OR POLYAMINES FOR MICROBIAL FOULING CONTROL IN A WATER SYSTEM ECOLAB USA INC. 2021-09-30 US disclosed
US-20200332423-A1 USE OF MULTIPLE CHARGED CATIONIC COMPOUNDS DERIVED FROM POLYAMINES AND COMPOSITIONS THEREOF FOR CORROSION INHIBITION IN A WATER SYSTEM ECOLAB USA INC. 2020-10-22 US disclosed
US-20200071261-A1 MULTIPLE CHARGED IONIC COMPOUNDS DERIVED FROM POLYAMINES AND COMPOSITIONS THEREOF AND METHODS OF PREPARATION THEREOF ECOLAB USA INC. 2020-03-05 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 (4 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-11236040-B2 Multiple charged ionic compounds derived from polyamines and compositions thereof and methods of preparation thereof SRM, ODC1, SMOX CYP2D6 2291/4885GRM4 1868/4885
US-20220119342-A1 MULTIPLE CHARGED IONIC COMPOUNDS DERIVED FROM POLYAMINES AND COMPOSITIONS THEREOF AND METHODS OF PREPARATION THEREOF SRM, ODC1, SMOX CYP2D6 2291/4885GRM4 1868/4885
US-20210298300-A1 USE OF MULTIPLE CHARGED CATIONIC COMPOUNDS DERIVED FROM PRIMARY AMINES OR POLYAMINES FOR MICROBIAL FOULING CONTROL IN A WATER SYSTEM ODC1, AOC1, SRM CYP2D6 4209/4885GRM4 4227/4885
US-20200071261-A1 MULTIPLE CHARGED IONIC COMPOUNDS DERIVED FROM POLYAMINES AND COMPOSITIONS THEREOF AND METHODS OF PREPARATION THEREOF SRM, ODC1, SMOX CYP2D6 2291/4885GRM4 1868/4885

“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.