SCHEMBL17757708

SCHEMBL17757708

CNCCCCNCCCCNCc1ccc(CNCCCCNCCCCNC)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.67
HRH4 Q9H3N8 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
MAOA P21397 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 1/20 0.52
SIGMAR1 Q99720 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
LPAR2 Q9HBW0 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
SCHEMBL18137047 0.86 CHRM2 (0.50) CHRM2HRH4HRH3MAOASMN1; SMN2
SCHEMBL18753925 0.86 HRH4 (0.59) CHRM2HRH4HRH3SMN1; SMN2CYP1A2
SCHEMBL13185366 0.85 HRH4 (0.53) CHRM2HRH4HRH3MAOASMN1; SMN2
SCHEMBL11583474 0.83 MAOA (0.69) CHRM2MAOASIGMAR1L3MBTL1
SCHEMBL13985127 0.82 LOXL2 (0.65) CHRM2HRH4HRH3MAOASMN1; SMN2
SCHEMBL13166768 0.81 HDAC3 (0.53) CHRM2HRH4HRH3SMN1; SMN2
SCHEMBL14048116 0.79 SCN8A (0.57) CHRM2HRH4HRH3
SCHEMBL9259496 0.77 HRH4 (0.84) CHRM2HRH4HRH3MAOASMN1; SMN2
SCHEMBL10748421 0.77 HRH4 (0.84) CHRM2HRH4HRH3MAOASMN1; SMN2
SCHEMBL10747074 0.77 HRH4 (0.84) CHRM2HRH4HRH3MAOASMN1; SMN2

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
EP-2830603-B1 POLYAMINE TRANSPORT SELECTIVE THERAPEUTIC AGENTS WITH ENHANCED STABILITY UNIV CENTRAL FLORIDA RES FOUND INC (US) 2018-09-26 EP disclosed
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-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 4515/4885HRH4 968/4885HRH3 1170/4885

“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.