Sugi Predict

Sugi Predict / Compounds / Tridihexethyl

Tridihexethyl

Tridihexethyl

SCHEMBL2296006

CC[N+](CC)(CC)CC[C@@](O)(c1ccccc1)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1CHRM3

The experimentally established mechanism targets of Tridihexethyl. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 known ✓ P11229 6/20 1.00
▸ CHRM3 known ✓ P20309 3/20 0.57
▸ CHRM2 P08172 7/20 1.00
▸ KCNH2 Q12809 5/20 1.00
▸ CYP2D6 P10635 4/20 1.00
▸ CHRM4 P08173 2/20 0.57
▸ CHRM5 P08912 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ GRIN2D O15399 1/20 0.57
▸ GRIN3B O60391 1/20 0.57
▸ HRH1 P35367 1/20 0.57
▸ GRIN1 Q05586 1/20 0.57
▸ GRIN2A Q12879 1/20 0.57
▸ GRIN2B Q13224 1/20 0.57
▸ GRIN2C Q14957 1/20 0.57
▸ GRIN3A Q8TCU5 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ HTR1A P08908 1/20 0.57

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
Tridihexethyl SCHEMBL94230 1.00 CHRM2 (1.00) CHRM2CHRM1KCNH2CYP2D6CHRM3
Tridihexethyl SCHEMBL100471 0.99 CHRM2 (0.97) CHRM2CHRM1KCNH2CYP2D6CHRM3
Tridihexethyl SCHEMBL249851 0.99 CHRM2 (0.97) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL20045514 0.83 CHRM2 (0.71) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL9910958 0.81 CHRM2 (0.68) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL2933098 0.80 CHRM2 (0.66) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL12441787 0.80 CHRM2 (0.66) CHRM2CHRM1KCNH2CYP2D6CHRM3
Tridihexethyl SCHEMBL5824214 0.78 CHRM2 (0.61) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL10516359 0.77 CHRM2 (0.64) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL10392382 0.77 CHRM2 (0.64) CHRM2CHRM1KCNH2CYP2D6CHRM3

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10722562-B2 Combinatorial analysis and repair IMMUDEX APS (DK) 2020-07-28 — — US disclosed
CN-103257189-B (S)-MNTX, its synthetic method with and medicinal usage PROGENICS PHARM INC. (US) 2016-05-11 — — CN disclosed
US-8916581-B2 (S)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2014-12-23 — — US disclosed
CN-101336118-B Manifold for use in a medicament dispenser GLAXO GROUP LTD 2014-04-23 — — CN disclosed
EP-1928882-B1 (S)-N-METHYLNALTREXONE, PROCESS FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE PROGENICS PHARM INC (US) 2013-09-04 — — EP disclosed
CN-101370547-B Medicament dispenser GLAXO GROUP LTD 2013-06-12 — — CN disclosed
US-20120136019-A1 (S)-N-METHYLNALTREXONE PROGENICS PHARMACEUTICALS, INC. (US) 2012-05-31 — — US disclosed
EP-2450360-A2 (S)-N-Methylnaltrexone Progenics Pharmaceuticals, Inc. (US) 2012-05-09 — — EP disclosed
US-20110212090-A1 Combinatorial Analysis and Repair DAKO DENMARK A/S 2011-09-01 — — US disclosed
US-8003794-B2 (S)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2011-08-23 — — US disclosed
EP-1928882-A2 (S)-N-METHYLNALTREXONE, PROCESS FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE PROGENICS PHARMACEUTICALS, INC. (US) 2008-06-11 — — EP disclosed
US-20070287727-A1 Anti-Nicotine Treatment ONTRAK, INC. (FORMERLY KNOWN AS CATASYS, INC.) 2007-12-13 — — US disclosed
US-20070265293-A1 Opioid antagonists; lyophilization PROGENICS PHARMACEUTICAIS, INC. 2007-11-15 — — US disclosed
WO-2006127898-A2 (S)-N-METHYLNALTREXONE, PROCESS FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE PROGENICS PHARMACEUTICALS, INC. (US) 2006-11-30 — — WO disclosed
WO-2006023497-A2 INTRANASAL DELIVERY OF ANTIPSYCHOTIC DRUGS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2006-03-02 — — WO disclosed
US-20060039869-A1 Intranasal delivery of antipsychotic drugs UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2006-02-23 — — US disclosed
US-20020068754-A1 Combination of adrenergic agonist and aryl-cyclo-alkanolamine for relieving chronic pain without adverse side effects OLNEY JOHN W (US) 2002-06-06 — — US disclosed
WO-2001089448-A2 COMBINATION OF ADRENERGIC AGONIST AND NMDA ANTAGONIST FOR RELIEVING CHRONIC PAIN WITHOUT ADVERSE SIDE EFFECTS OLNEY JOHN W (US) 2001-11-29 — — WO disclosed
EP-0198034-A1 PHYSIOLOGICAL MEANS OF ENHANCING TRANSDERMAL DELIVERY OF DRUGS. KEY PHARMA (US) 1986-10-22 — — EP disclosed
WO-1986002272-A1 PHYSIOLOGICAL MEANS OF ENHANCING TRANSDERMAL DELIVERY OF DRUGS KEY PHARMACEUTICALS, INC. (US) 1986-04-24 — — 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-20070265293-A1 Opioid antagonists; lyophilization OPRM1, OGFR, OPRL1 CHRM1 615/4885CHRM3 204/4885CHRM2 449/4885
US-20120136019-A1 (S)-N-METHYLNALTREXONE OPRM1, OPRL1, LPXN CHRM1 219/4885CHRM3 64/4885CHRM2 131/4885
US-20060039869-A1 Intranasal delivery of antipsychotic drugs HTT, SLC6A3, HTR6 CHRM1 485/4885CHRM3 487/4885CHRM2 379/4885

“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.