SCHEMBL1375313

SCHEMBL1375313

OC1(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CCC2(CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
ENPP2 Q13822 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SIRT2 Q8IXJ6 6/20 0.33
CCR1 P32246 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
ACSS2 Q9NR19 1/20 0.30
GRM1 Q13255 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
SCHEMBL15487989 0.91 CYP11B1 (0.40) ENPP2CYP11B1CYP11B2SIRT2CCR1
SCHEMBL31645949 0.80 ENPP2 (0.35) ENPP2CYP11B1CYP11B2SIRT2
SCHEMBL31646062 0.77 ENPP2 (0.34) ENPP2CYP11B1CYP11B2SIRT2
SCHEMBL1371991 0.75 IDO1 (0.36) HSD11B1ENPP2CYP11B1CYP11B2SIRT2
SCHEMBL1373514 0.74 ENPP2 (0.39) HSD11B1ENPP2CYP11B1CYP11B2SIRT2
SCHEMBL7784539 0.74 CYP11B1 (0.40) ENPP2CYP11B1CYP11B2SIRT2OPRM1
SCHEMBL7786406 0.74 CYP11B1 (0.40) ENPP2CYP11B1CYP11B2SIRT2OPRM1
SCHEMBL7787709 0.73 CYP11B1 (0.37) HSD11B1ENPP2CYP11B1CYP11B2SIRT2
SCHEMBL7786397 0.72 CYP11B1 (0.39) ENPP2CYP11B1CYP11B2SIRT2OPRM1
SCHEMBL8608329 0.72 CYP11B1 (0.39) ENPP2CYP11B1CYP11B2SIRT2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464075-B2 Influenza A virus inhibition THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-10-11 US disclosed
US-9464075-B2 Influenza A virus inhibition THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-10-11 US disclosed
US-9453005-B2 Inhibition of influenza M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-09-27 US disclosed
US-9453005-B2 Inhibition of influenza M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-09-27 US disclosed
US-9453005-B2 Inhibition of influenza M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-09-27 US disclosed
US-20110294785-A1 INFLUENZA A VIRUS INHIBITION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-12-01 US disclosed
US-20110294785-A1 INFLUENZA A VIRUS INHIBITION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-12-01 US disclosed
US-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-11-24 US disclosed
US-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-11-24 US disclosed
US-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-11-24 US disclosed
WO-2010033339-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-25 WO disclosed
WO-2010033340-A1 INFLUENZA A VIRUS INHIBITION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-25 WO disclosed
WO-2010033339-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-25 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 (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-20110294785-A1 INFLUENZA A VIRUS INHIBITION HAVCR2, MAVS, CD4 HSD11B1 3761/4885ENPP2 1101/4885CYP11B1 3740/4885
US-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL HVCN1, TRPM2, ASIC1 HSD11B1 4500/4885ENPP2 945/4885CYP11B1 3951/4885

“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.