Selegiline

Selegiline

SCHEMBL1171497

C#CCN(C)[C@H](C)Cc1ccccc1.[Cl-].[H+]

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MAOB

The experimentally established mechanism targets of Selegiline. 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
▸ MAOB known ✓ P27338 11/20 0.93
▸ MAOA P21397 8/20 0.93
▸ CYP1A2 P05177 2/20 0.93
▸ ADRA2B P18089 2/20 0.93
▸ ADRA2C P18825 2/20 0.93
▸ ADRA1A P35348 2/20 0.93
▸ OPRK1 P41145 2/20 0.93
▸ ADRA2A P08913 1/20 0.93
▸ SNCA P37840 1/20 0.93
▸ CYP2D6 P10635 1/20 0.93
▸ PKM P14618 1/20 0.93
▸ TSHR P16473 1/20 0.93
▸ MAPK1 P28482 1/20 0.90
▸ KDM4E B2RXH2 1/20 0.90
▸ SLC6A2 P23975 1/20 0.59
▸ HTR2A P28223 1/20 0.59
▸ SLC6A4 P31645 1/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ SIGMAR1 Q99720 3/20 0.56

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
Selegiline SCHEMBL7105217 1.00 MAOB (0.93) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL1286950 0.97 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL74753 0.97 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL15867136 0.97 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL12248117 0.97 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL22232 0.97 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL5499736 0.97 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL41392 0.95 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL473659 0.95 MAOB (1.00) MAOBMAOACYP1A2ADRA2BADRA2C
Selegiline SCHEMBL4611911 0.92 MAOB (0.90) MAOBMAOACYP1A2ADRA2BADRA2C

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 39 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-10905672-B2 Combination of baclofen, acamprosate and medium chain triglycerides for the treatment of neurological disorders PHARNEXT (FR) 2021-02-02 — — 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-3750982-A1 CELL CULTURE PLATE, METHOD FOR PREPARING THEREOF AND METHOD FOR DETECTING A SUBSTANCE UPM-Kymmene Corporation (FI) 2020-12-16 — — EP disclosed
US-10799499-B2 Combinatorial therapies of neurological disorders PHARNEXT (FR) 2020-10-13 — — US disclosed
US-20190111054-A1 NOVEL COMBINATORIAL THERAPIES OF NEUROLOGICAL DISORDERS PHARNEXT (FR) 2019-04-18 — — US disclosed
EP-3411025-A1 NOVEL COMBINATORIAL THERAPIES OF NEUROLOGICAL DISORDERS Pharnext (FR) 2018-12-12 — — EP disclosed
CN-105153195-B A kind of tricyclic pyrazole [1,5 d] [1,4] benzo oxygen azatropylidene ketone derivatives and preparation method thereof and purposes 汤文建 2017-09-26 — — CN disclosed
EP-2021502-A1 NOVEL GENES AND MARKERS IN TYPE 2 DIABETES AND OBESITY Oy Jurilab Ltd (FI) 2009-02-11 — — EP disclosed
EP-1991212-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS Braincells, Inc. (US) 2008-11-19 — — EP disclosed
WO-2007128884-A1 NOVEL GENES AND MARKERS IN TYPE 2 DIABETES AND OBESITY OY JURILAB LTD (FI) 2007-11-15 — — 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-20060287299-A1 Combination therapy for dementia, depression and apathy SHELDON LESLIE J 2006-12-21 — — US disclosed
EP-1713486-A1 COMBINATION THERAPY FOR DEMENTIA,DEPRESSION AND APATHY Sheldon, Leslie James (CA) 2006-10-25 — — EP disclosed
WO-2005053703-A1 COMBINATION THERAPY FOR DEMENTIA, DEPRESSION AND APATHY SHELDON LESLIE JAMES (CA) 2005-06-16 — — WO disclosed
US-20030212144-A1 Method for inducing an estrous cycle and pregnancy in a female mammal MOHANKUMAR, SHEBA M. J. 2003-11-13 — — US disclosed
WO-2002005805-A1 METHOD FOR INDUCING AN ESTROUS CYCLE AND PREGNANCY IN A FEMALE MAMMAL MICHIGAN STATE UNIVERSITY (US) 2002-01-24 — — 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 (6 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-20200397752-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS HTR2A, HTR2C, HTR1A MAOB 53/4885MAOA 51/4885CYP1A2 828/4885
US-20230330063-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS HTR2A, HTR2C, HTR1A MAOB 55/4885MAOA 48/4885CYP1A2 722/4885
US-10905672-B2 Combination of baclofen, acamprosate and medium chain triglycerides for the treatment of neurological disorders CPT1B, APOB, GABRB3 MAOB 277/4885MAOA 1271/4885CYP1A2 2729/4885
US-20240165079-A1 COMBINATION PRODUCT FOR THE TREATMENT OF NEUROLOGICAL AND/OR PSYCHIATRIC DISORDERS HTR2A, HTR2C, HTR1A MAOB 53/4885MAOA 51/4885CYP1A2 828/4885
US-20070244143-A1 MODULATION OF NEUROGENESIS BY NOOTROPIC AGENTS GAP43, BDNF, DCX MAOB 699/4885MAOA 658/4885CYP1A2 4792/4885
US-11723894-B2 Combination product for the treatment of neurological and/or psychiatric disorders HTR2A, HTR2C, HTR1A MAOB 53/4885MAOA 51/4885CYP1A2 828/4885

“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.

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