SCHEMBL17757709

SCHEMBL17757709

CNCCCCNCCCCNCc1c2ccccc2c(CNCCCCNCCCCNC)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SLC2A1 P11166 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42

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
SCHEMBL4101924 0.88 SLC6A4 (0.45) CHRM2L3MBTL1SLC2A1SLC6A4
SCHEMBL17757711 0.83 SLC2A1 (0.59) CHRM2SLC2A1GRIN1GRIN2ABCHE
SCHEMBL14823439 0.81 CHRM2 (0.51) CHRM2GRIN1GRIN2A
SCHEMBL15139535 0.78 CHRM2 (0.49) CHRM2SLC2A1GRIN1GRIN2A
SCHEMBL17757708 0.75 CHRM2 (0.67) CHRM2L3MBTL1SIGMAR1MAOA
SCHEMBL4109207 0.74 ABCB1 (0.43) CHRM2L3MBTL1SLC2A1
SCHEMBL6834728 0.74 KDM4E (0.50) SLC6A4
SCHEMBL5854479 0.73 HTR2A (0.48) CHRM2L3MBTL1SLC2A1SIGMAR1MAOA
Hydrochloric Acid SCHEMBL17260135 0.73 SMN1; SMN2 (0.55) CHRM2SLC2A1SIGMAR1
Hydrochloric Acid SCHEMBL15821796 0.73 SMN1; SMN2 (0.55) CHRM2SLC2A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926260-B2 Polyamine transport selective therapeutic agents with enhanced stability UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-03-27 US disclosed
US-20160311756-A1 POLYAMINE TRANSPORT SELECTIVE THERAPEUTIC AGENTS WITH ENHANCED STABILITY UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-10-27 US disclosed
US-20160299149-A1 ASSAYS AND METHODS FOR CELL PROLIFERATION-TARGETED TREATMENT THERAPIES UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-10-13 US disclosed
US-9346741-B2 Polyamine transport selective therapeutic agents with enhanced stability UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-05-24 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-20160311756-A1 POLYAMINE TRANSPORT SELECTIVE THERAPEUTIC AGENTS WITH ENHANCED STABILITY SLC7A1, SRM, SMS CHRM2 4515/4885L3MBTL1 3527/4885SLC2A1 55/4885

“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.