Sugi Predict

Sugi Predict / Compounds / Desmethylselegiline

Desmethylselegiline

Desmethylselegiline

SCHEMBL4543249

C#CCNC(C)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ TSHR P16473 1/20 1.00
▸ SLC6A4 P31645 2/20 0.65
▸ SIGMAR1 Q99720 12/20 0.64
▸ TAAR1 Q96RJ0 2/20 0.57
▸ SLC18A2 Q05940 1/20 0.57
▸ LMNA P02545 1/20 0.56
▸ ADRB2 P07550 1/20 0.54
▸ ADRB1 P08588 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ ADRA2B P18089 1/20 0.54
▸ ADRA2C P18825 1/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ MC4R P32245 1/20 0.54

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
Rnordeprenyl SCHEMBL2477570 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6TSHRSLC6A4
Rnordeprenyl SCHEMBL12171086 1.00 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6TSHRSLC6A4
Desmethylselegiline SCHEMBL27813529 0.98 CYP1A2 (0.96) CYP1A2CYP3A4CYP2D6TSHRSLC6A4
Rnordeprenyl SCHEMBL29015119 0.98 CYP1A2 (0.96) CYP1A2CYP3A4CYP2D6TSHRSLC6A4
Rnordeprenyl SCHEMBL2473190 0.98 CYP1A2 (0.96) CYP1A2CYP3A4CYP2D6TSHRSLC6A4
Desmethylselegiline SCHEMBL27813455 0.96 CYP1A2 (0.93) CYP1A2CYP3A4CYP2D6TSHRSLC6A4
SCHEMBL16335536 0.81 CYP1A2 (0.68) CYP1A2CYP3A4CYP2D6TSHRSLC6A4
SCHEMBL29059547 0.79 SIGMAR1 (0.81) CYP1A2CYP3A4CYP2D6TSHRSLC6A4
SCHEMBL18756829 0.79 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6TSHRSLC6A4
SCHEMBL7031931 0.78 CYP1A2 (0.64) CYP1A2CYP3A4CYP2D6TSHRSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226851-A1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER Semmelweis University (HU) 2017-10-11 — — EP claimed
WO-2016088111-A1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIVERSITY (HU) 2016-06-09 — — WO claimed
WO-2006022639-A1 GENETIC POLYMORPHISMS ASSOCIATED WITH ALZHEIMER'S DISEASE, METHODS OF DETECTION AND USES THEREOF APPLERA CORPORATION (US) 2006-03-02 — — WO claimed
CN-119350166-A Preparation method and application of desmethylselegiline 安徽贝克制药股份有限公司 2025-01-24 — — CN disclosed
CN-110668951-B Synthesis process of selegiline hydrochloride 安徽贝克生物制药有限公司 2022-09-30 — — CN disclosed
CN-110642721-B Preparation method of selegiline hydrochloride 安徽贝克生物制药有限公司 2022-09-30 — — CN disclosed
CN-112638889-A Urolithin A and derivatives thereof for use in therapy 路易斯维尔大学研究基金会 2021-04-09 — — CN disclosed
CN-110668951-A Synthesis process of selegiline hydrochloride 安徽贝克生物制药有限公司 2020-01-10 — — CN disclosed
CN-110642721-A Preparation method of selegiline hydrochloride 安徽贝克生物制药有限公司 2020-01-03 — — CN disclosed
EP-2217549-B1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING, AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PIRAMAL IMAGING SA (CH) 2017-04-19 — — EP disclosed
CN-101835728-B Compounds for imaging, diagnosing and/or treating central nervous system diseases or tumors BAYER SCHERING PHARMA AG (DE) 2016-03-09 — — CN disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 — — US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 — — EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 — — WO disclosed
EP-2388245-A1 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors Bayer Pharma AG (DE) 2011-11-23 — — EP disclosed
CN-101835728-A Compounds for imaging, diagnosing and/or treating central nervous system diseases or tumors BAYER SCHERING PHARMA AG 2010-09-15 — — CN disclosed
US-20090069439-A1 Use of pargyline for the treatment of hair folliclies CUTECH S.R.I. 2009-03-12 — — US disclosed
US-20090069439-A1 Use of pargyline for the treatment of hair folliclies CUTECH S.R.I. 2009-03-12 — — US disclosed
CN-1620485-A Polymer derivatives for the treatment of metals BASF AG (DE) 2005-05-25 — — CN disclosed
US-4913891-A CARBON-11 LABELED CLORGYLINE AND L-DEPRENYL BOUND TO MONO-OXIDASE; IRREVERSIBLE; MAPPING ENZYME ACITIVITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1990-04-03 — — 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 (2 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-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 CYP1A2 2055/4885CYP3A4 2764/4885CYP2D6 1681/4885
US-20090069439-A1 Use of pargyline for the treatment of hair folliclies TPH2, TPH1, COX5B CYP1A2 13/4885CYP3A4 166/4885CYP2D6 729/4885

“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.