SCHEMBL2590668

SCHEMBL2590668

CC(C)N1CCNCC1.CCN(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.43
HRH3 Q9Y5N1 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRM1 P35372 7/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
OPRK1 P41145 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL77101 0.83
SCHEMBL5387 0.83
SCHEMBL1706403 0.83 MEN1 (0.39) OPRD1HRH3SIGMAR1SLC6A2SLC6A4
Iodide SCHEMBL30375035 0.81 MEN1 (0.38) OPRD1HRH3SIGMAR1SLC6A2SLC6A4
SCHEMBL12403231 0.81 MEN1 (0.38) HRH3SIGMAR1SLC6A2SLC6A4CHRM5
Hydrochloric Acid SCHEMBL522550 0.81 MEN1 (0.38) HRH3SIGMAR1SLC6A2SLC6A4CHRM5
SCHEMBL4822887 0.81 MEN1 (0.38) HRH3SIGMAR1SLC6A2SLC6A4CHRM5
SCHEMBL13509549 0.81 MEN1 (0.38) HRH3SIGMAR1SLC6A2SLC6A4CHRM5
Hydrochloric Acid SCHEMBL1742546 0.81 MEN1 (0.38) HRH3SIGMAR1SLC6A2SLC6A4CHRM5
Piperazine SCHEMBL28179364 0.81 MEN1 (0.38) HRH3SIGMAR1SLC6A2SLC6A4CHRM5

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
EP-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 EP disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 US disclosed
EP-2585073-A1 ANTIVIRAL COMPOUNDS Prostetta Antiviral Inc. (US) 2013-05-01 EP disclosed
CN-102958525-A Antiviral compounds PROSTETTA ANTIVIRAL INC 2013-03-06 CN disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 US disclosed
WO-2011137447-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2011-11-03 WO 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-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 OPRD1 3667/4885HRH3 3258/4885SIGMAR1 978/4885

“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.