SCHEMBL3239761

SCHEMBL3239761

CCCCCC[N+]12CCN(CC1)CC2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
GNAI3 P08754 3/20 0.33
GNAO1 P09471 3/20 0.33
GNAI1 P63096 3/20 0.33
SLC10A2 Q12908 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
SCHEMBL4059880 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL841580 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL4062252 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL4067401 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL14380155 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL840549 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL4058133 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL4258623 0.98 GNAI3 (0.36) TSHRTHRBGNAI3GNAO1GNAI1
Bromide SCHEMBL359338 0.98 TSHR (0.35) TSHRTHRBGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL3245280 0.98 GNAI3 (0.36) TSHRTHRBGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9832998-B2 Antiviral compositions RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-12-05 US disclosed
US-9832998-B2 Antiviral compositions RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-12-05 US disclosed
US-20170164614-A1 ANTIMICROBIAL MATERIALS AND METHODS UNIV FLORIDA (US) 2017-06-15 US disclosed
US-9549549-B2 Antimicrobial materials and methods STC.UNM (US) 2017-01-24 US disclosed
US-20150196032-A1 ANTIVIRAL COMPOSITIONS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-07-16 US disclosed
US-20150196032-A1 ANTIVIRAL COMPOSITIONS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-07-16 US disclosed
US-8999316-B2 Antiviral compounds PACE UNIVERSITY (US) 2015-04-07 US disclosed
US-20140242148-A1 ANTIMICROBIAL MATERIALS AND METHODS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-08-28 US disclosed
EP-2209817-A1 ANTIVIRAL COMPOSITIONS Research Foundation of the City University of New York (US) 2010-07-28 EP disclosed
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed
WO-2009041999-A1 ANTIVIRAL COMPOSITIONS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2009-04-02 WO disclosed
WO-2009024312-A2 METHOD FOR THE PRODUCTION AND STABILIZATION OF FUNCTIONAL METAL NANOPARTICLES IN IONIC LIQUIDS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-02-26 WO disclosed
US-20080299070-A1 Antiviral Compounds LONG ISLAND UNIVERSITY 2008-12-04 US disclosed
US-20080299070-A1 Antiviral Compounds LONG ISLAND UNIVERSITY 2008-12-04 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 (4 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-20080299070-A1 Antiviral Compounds EIF2AK2, MAVS, SARS1 TSHR 4767/4885THRB 4880/4885GNAI3 1197/4885
US-20150196032-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, MAVS, SARS1 TSHR 4720/4885THRB 4882/4885GNAI3 1018/4885
US-20170164614-A1 ANTIMICROBIAL MATERIALS AND METHODS AOC3, OGFOD1, DDT TSHR 3574/4885THRB 4033/4885GNAI3 3020/4885
US-20140242148-A1 ANTIMICROBIAL MATERIALS AND METHODS AOC3, OGFOD1, DDT TSHR 3574/4885THRB 4033/4885GNAI3 3020/4885

“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.