SCHEMBL841580

SCHEMBL841580

CCCCCCCCCCCCCCCC[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
SCHEMBL3239761 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL4059880 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143254-B2 Methods for modulating ion channels CORNELL RESEARCH FOUNDATION, INC. (US) 2012-03-27 US disclosed
US-20090005386-A1 Methods for Modulating Ion Channels PACE UNIVERSITY 2009-01-01 US disclosed
US-7285286-B2 Antimicrobial surfaces LONG ISLAND UNIVERSITY (US) 2007-10-23 US disclosed
US-7285286-B2 Antimicrobial surfaces LONG ISLAND UNIVERSITY (US) 2007-10-23 US disclosed
US-7241453-B2 Antimicrobial surfaces LONG ISLAND UNIVERSITY (US) 2007-07-10 US disclosed
US-7241453-B2 Antimicrobial surfaces LONG ISLAND UNIVERSITY (US) 2007-07-10 US disclosed
US-20060199758-A1 ANTIMICROBIAL SURFACES ENGEL ROBERT 2006-09-07 US disclosed
US-20050181006-A1 Antimicrobial surfaces PACE UNIVERSITY 2005-08-18 US disclosed
EP-1496823-A2 ANTIMICROBIAL SURFACES Research Foundation of the City University of New York (US) 2005-01-19 EP disclosed
WO-2003086477-A2 ANTIMICROBIAL SURFACES RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2003-10-23 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 (3 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-20060199758-A1 ANTIMICROBIAL SURFACES TLR2, NR0B2, FPR2 TSHR 87/4885THRB 123/4885GNAI3 4050/4885
US-20050181006-A1 Antimicrobial surfaces QSOX1, LBR, FPR1 TSHR 1704/4885THRB 1878/4885GNAI3 3460/4885
US-20090005386-A1 Methods for Modulating Ion Channels KCNJ5, KCNN4, TRPV1 TSHR 1003/4885THRB 1225/4885GNAI3 249/4885

“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.