SCHEMBL2525998

SCHEMBL2525998

CCCCCC[N+]12CCC(CC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
CHRNA7 P36544 1/20 0.35
EPHX1 P07099 1/20 0.34
APOBEC3A P31941 2/20 0.34
APOBEC3G Q9HC16 2/20 0.34
RGS12 O14924 1/20 0.34
HTT P42858 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ALDH1A1 P00352 2/20 0.32
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL868069 1.00 GNAI3 (0.41) GNAI3GNAO1GNAI1TSHRTHRB
Water SCHEMBL2526562 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
Iodide SCHEMBL3854066 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
Bromide SCHEMBL2524389 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL1666073 0.88 CHRNA7 (0.36) CHRNA7
Acetic Acid SCHEMBL5368078 0.87 CES2 (0.36) GNAI3GNAO1GNAI1APOBEC3AAPOBEC3G
SCHEMBL7263081 0.85 CHRNA7 (0.38) CHRNA7
Bromide SCHEMBL7629729 0.83 CHRNA7 (0.36) CHRNA7
Bromide SCHEMBL22788428 0.80 TSHR (0.44) GNAI3GNAO1GNAI1TSHRTHRB
SCHEMBL18845451 0.80 TSHR (0.41) GNAI3GNAO1GNAI1TSHRTHRB

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
EP-1687241-B1 USE OF EUO STRUCTURAL ZEOLITE CONTAINING AN HEXYLQUINUCLIDINIUM STRUCTURING AS CATALYST INST FRANCAIS DU PETROLE (FR) 2012-05-02 EP claimed
US-8038982-B2 EUO-structural-type zeolite containing the alkyl quinuclidinium structuring agent, process for preparation and use as catalyst IFP Energies Nouvelles (FR) 2011-10-18 US claimed
US-20090043145-A1 Euo-structural-type zeolite containing the alkyl quinuclidinium structuring agent, process for preparation and use as catalyst INSTITUT FRANCAIS DU PETROLE (FR) 2009-02-12 US claimed
JP-2007513040-A 2007-05-24 JP claimed
EP-1687241-A2 EUO STRUCTURAL ZEOLITE CONTAINING AN ALKYLQUINUCLIDINIUM STRUCTURING, METHOD FOR THE PREPARATION AND USE THEREOF IN THE FORM OF A CATALYST Institut Français du Pétrole (FR) 2006-08-09 EP claimed
WO-2005049494-A2 EUO STRUCTURAL ZEOLITE CONTAINING AN ALKYLQUINUCLIDINIUM STRUCTURING, METHOD FOR THE PREPARATION AND USE THEREOF IN THE FORM OF A CATALYST INSTITUT FRANCAIS DU PETROLE (FR) 2005-06-02 WO claimed
US-9549549-B2 Antimicrobial materials and methods STC.UNM (US) 2017-01-24 US disclosed
US-20140242148-A1 ANTIMICROBIAL MATERIALS AND METHODS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-08-28 US disclosed
EP-1687241-B1 USE OF EUO STRUCTURAL ZEOLITE CONTAINING AN HEXYLQUINUCLIDINIUM STRUCTURING AS CATALYST INST FRANCAIS DU PETROLE (FR) 2012-05-02 EP disclosed
US-8038982-B2 EUO-structural-type zeolite containing the alkyl quinuclidinium structuring agent, process for preparation and use as catalyst IFP Energies Nouvelles (FR) 2011-10-18 US disclosed
US-20090043145-A1 Euo-structural-type zeolite containing the alkyl quinuclidinium structuring agent, process for preparation and use as catalyst INSTITUT FRANCAIS DU PETROLE (FR) 2009-02-12 US disclosed
EP-1687241-A2 EUO STRUCTURAL ZEOLITE CONTAINING AN ALKYLQUINUCLIDINIUM STRUCTURING, METHOD FOR THE PREPARATION AND USE THEREOF IN THE FORM OF A CATALYST Institut Français du Pétrole (FR) 2006-08-09 EP disclosed
WO-2005049494-A2 EUO STRUCTURAL ZEOLITE CONTAINING AN ALKYLQUINUCLIDINIUM STRUCTURING, METHOD FOR THE PREPARATION AND USE THEREOF IN THE FORM OF A CATALYST INSTITUT FRANCAIS DU PETROLE (FR) 2005-06-02 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-20140242148-A1 ANTIMICROBIAL MATERIALS AND METHODS AOC3, OGFOD1, DDT GNAI3 3020/4885GNAO1 2555/4885GNAI1 3606/4885

“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.