SCHEMBL21766563

SCHEMBL21766563

COC(=O)CCCN1CCN(CC(=O)OC(C)(C)C)Cc2cccc(n2)CN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
HTR1A P08908 7/20 0.43
HTR7 P34969 7/20 0.43
PDE4B Q07343 1/20 0.41
PDE7A Q13946 1/20 0.41
DRD4 P21917 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12629144 0.87 KMT2A (0.47) DRD2HTR1AHTR2AHTR2CSLC6A4
SCHEMBL21427218 0.81 KMT2A (0.41) DRD2HTR2AHTR2CSLC6A4KMT2A
SCHEMBL12629018 0.79 KMT2A (0.44) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL9269191 0.76 KMT2A (0.39) DRD2KMT2AALDH1A1
SCHEMBL24922917 0.75 POLB (0.44) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL21211613 0.74 HTR7 (0.36) DRD2HTR1AHTR7DRD4HTR2A
SCHEMBL16656258 0.74 PAOX (0.47) DRD2HTR1AHTR7DRD4SIGMAR1
SCHEMBL12629021 0.74 ALDH1A1 (0.39) KMT2AALDH1A1
SCHEMBL21211641 0.74 CXCR4 (0.51) DRD2HTR1AHTR7DRD4KMT2A
SCHEMBL10033374 0.73 KMT2A (0.35) KMT2A

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-10730897-B2 Manganese chelate compounds GE HEALTHCARE AS (NO) 2020-08-04 US disclosed
EP-3558394-B1 TETRAAZABICYCLO-MACROCYCLE BASED MANGANESE CHELATE COMPOUNDS SUITABLE AS MRI IMAGING AGENTS GE HEALTHCARE AS (NO) 2020-06-03 EP disclosed
US-20200062791-A1 MANGANESE CHELATE COMPOUNDS GE HEALTHCARE AS (NO) 2020-02-27 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-20200062791-A1 MANGANESE CHELATE COMPOUNDS MPI, SLC39A3, SLC39A14 DRD2 2259/4885HTR1A 4761/4885HTR7 4480/4885
US-10730897-B2 Manganese chelate compounds MPI, SLC39A3, SLC39A14 DRD2 2259/4885HTR1A 4761/4885HTR7 4480/4885

“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.