Mesulergine

Mesulergine

SCHEMBL677489

CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21.[Cl-].[H+]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Mesulergine. 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
CHRM2 known ✓ P08172 1/20 0.47
CHRM1 known ✓ P11229 1/20 0.47
ACHE known ✓ P22303 1/20 0.47
SLC6A2 known ✓ P23975 1/20 0.47
SLC6A3 known ✓ Q01959 1/20 0.47
HTR2B P41595 6/20 0.96
HTR2A P28223 4/20 0.96
ALDH1A1 P00352 4/20 0.96
HTR7 P34969 3/20 0.96
HTR1A P08908 3/20 0.96
HTR2C P28335 3/20 0.96
HTR6 P50406 2/20 0.96
CYP2D6 P10635 6/20 0.64
RGS12 O14924 3/20 0.64
GNAI1 P63096 3/20 0.64
CYP1A2 P05177 2/20 0.64
LMNA P02545 4/20 0.63
KDM4E B2RXH2 3/20 0.63
PMP22 Q01453 3/20 0.63
DRD2 P14416 3/20 0.49

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
Mesulergine SCHEMBL29408582 0.98 HTR2B (1.00) HTR2BHTR2AALDH1A1HTR7HTR1A
Mesulergine SCHEMBL3143855 0.98 HTR2B (1.00) HTR2BHTR2AALDH1A1HTR7HTR1A
Mesulergine SCHEMBL292175 0.98 HTR2B (1.00) HTR2BHTR2AALDH1A1HTR7HTR1A
Mesulergine SCHEMBL11415354 0.98 HTR2B (1.00) HTR2BHTR2AALDH1A1HTR7HTR1A
Mesulergine SCHEMBL1321023 0.97 HTR2B (0.98) HTR2BHTR2AALDH1A1HTR7HTR1A
SCHEMBL10670412 0.86 HTR2B (0.78) HTR2BHTR2AALDH1A1HTR7HTR1A
SCHEMBL10670405 0.86 HTR2B (0.78) HTR2BHTR2AALDH1A1HTR7HTR1A
SCHEMBL10670418 0.86 HTR2B (0.78) HTR2BHTR2AALDH1A1HTR7HTR1A
Disulergine SCHEMBL11408974 0.79 HTR7 (1.00) HTR2BHTR2AALDH1A1HTR7HTR1A
Disulergine SCHEMBL11408971 0.79 HTR7 (1.00) HTR2BHTR2AALDH1A1HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240165079-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS CONSEJO SUPERIOR INVESTIGACION (ES) 2024-05-23 US disclosed
US-20230330063-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS CONSEJO SUPERIOR INVESTIGACION (ES) 2023-10-19 US disclosed
US-11723894-B2 Combination product for the treatment of neurological and/or psychiatric disorders TERRAN BIOSCIENCES, INC. (US) 2023-08-15 US disclosed
US-20200397752-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS Consejo Superior de Investigacions Cientificas (CSIS) (ES) 2020-12-24 US disclosed
EP-3713568-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-09-30 EP disclosed
EP-2576778-B1 TRANSGENIC REPORTER SYSTEM THAT REVEALS EXPRESSION PROFILES AND REGULATION MECHANISMS OF ALTERNATIVE SPLICING IN RODENTS UNIV KYOTO (JP) 2017-08-09 EP disclosed
US-9273364-B2 Transgenic reporter system that reveals expression profiles and regulation mechanisms of alternative splicing in mammalian organisms KYOTO UNIVERSITY (JP) 2016-03-01 US disclosed
EP-2288345-B1 PSYCHO-PHARMACEUTICALS UNIV DUBLIN (IE) 2015-06-10 EP disclosed
US-20130137099-A1 TRANSGENIC REPORTER SYSTEM THAT REVEALS EXPRESSION PROFILES AND REGULATION MECHANISMS OF ALTERNATIVE SPLICING IN MAMMALIAN ORGANISMS KYOTO UNIVERSITY (JP) 2013-05-30 US disclosed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC (US) 2007-10-18 US disclosed
WO-2007104035-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS BRAINCELLS, INC. (US) 2007-09-13 WO disclosed
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-09-06 US disclosed
US-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-17 US disclosed
WO-2007053596-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS BRAINCELLS, INC. (US) 2007-05-10 WO disclosed
WO-2007047978-A2 MODULATION OF NEUROGENESIS BY PDE INHIBITION BRAINCELLS, INC. (US) 2007-04-26 WO disclosed
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION BRAINCELLS, INC. (US) 2007-04-05 US disclosed
WO-2007030697-A2 MODULATION OF NEUROGENESIS BY HDAC INHIBITION BRAINCELLS, INC. (US) 2007-03-15 WO disclosed
WO-2007025177-A2 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 WO disclosed
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2007-03-01 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 (9 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-20070112017-A1 GABA RECEPTOR MEDIATED MODULATION OF NEUROGENESIS GABRB2, GAP43, GABRB1 CHRM2 326/4885CHRM1 614/4885ACHE 548/4885
US-20200397752-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS HTR2A, HTR2C, HTR1A CHRM2 563/4885CHRM1 755/4885ACHE 259/4885
US-20230330063-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS HTR2A, HTR2C, HTR1A CHRM2 566/4885CHRM1 648/4885ACHE 321/4885
US-20070078083-A1 MODULATION OF NEUORGENESIS BY HDac INHIBITION DCX, BDNF, NTRK2 CHRM2 985/4885CHRM1 1980/4885ACHE 712/4885
US-20070208029-A1 MODULATION OF NEUROGENESIS BY PDE INHIBITION PDE2A, PDE4A, DCX CHRM2 287/4885CHRM1 814/4885ACHE 47/4885
US-20240165079-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS HTR2A, HTR2C, HTR1A CHRM2 563/4885CHRM1 755/4885ACHE 259/4885
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS GAP43, BDNF, DCX CHRM2 65/4885CHRM1 153/4885ACHE 40/4885
US-20070049576-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 CHRM2 15/4885CHRM1 24/4885ACHE 18/4885
US-11723894-B2 Combination product for the treatment of neurological and/or psychiatric disorders HTR2A, HTR2C, HTR1A CHRM2 563/4885CHRM1 755/4885ACHE 259/4885

“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.