SCHEMBL333319

SCHEMBL333319

C#CCNCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 1/20 0.55
ATM Q13315 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ACHE P22303 1/20 0.49
KCNH2 Q12809 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 1/20 0.48
KDM1A O60341 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
IDO1 P14902 1/20 0.48

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
Hydrochloric Acid SCHEMBL2119957 0.98 GAA (0.59) SIGMAR1GAAMAPTATMTAAR1
SCHEMBL7460981 0.89 ALDH1A1 (0.53) SIGMAR1GAAMAPTTAAR1ACHE
SCHEMBL10063072 0.88 SIGMAR1 (0.67) SIGMAR1KCNH2
SCHEMBL30614498 0.80 TAAR1 (0.57) GAATAAR1ACHECYP1A2CYP2D6
SCHEMBL283735 0.79 SIGMAR1 (0.81) SIGMAR1GAAMAPTATMTAAR1
SCHEMBL2238594 0.79 CA12 (0.57) SIGMAR1GAAMAPTATMTAAR1
SCHEMBL7103006 0.79 SIGMAR1 (0.55) SIGMAR1GAAMAPTATMTAAR1
N-Benzylpropargylamine SCHEMBL669952 0.78 PYCR1 (0.64) SIGMAR1GAAMAPTCYP1A2CYP3A4
SCHEMBL17667767 0.78 SIGMAR1 (0.53) SIGMAR1GAAMAPTATMTAAR1
SCHEMBL13937400 0.77 SIGMAR1 (0.77) SIGMAR1GAAMAPTATMTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406200-A Silver-based hybrid material and preparation method and application thereof 安徽工业大学 2024-07-30 CN claimed
CN-117160463-A Preparation method and application of cerium oxide supported copper-based catalyst 北京化工大学 2023-12-05 CN claimed
EP-2531181-A1 EXTENDED RELEASE FORMULATIONS OF RASAGILINE AND USES THEREOF Pharma Two B Ltd. (IL) 2012-12-12 EP claimed
EP-2531033-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) FOR USE IN TREATMENT OF DISEASES ASSOCIATED WITH A PTEN DEFICIENCY BioMarin Pharmaceutical Inc. (US) 2012-12-12 EP claimed
CN-118406200-A Silver-based hybrid material and preparation method and application thereof 安徽工业大学 2024-07-30 CN disclosed
CN-115975096-A Can catalyze CO in industrial waste gas 2 Copper-based N-heterocyclic carbene porous polymer converted into oxazolidinone, and preparation method and application thereof 桂林电子科技大学 2023-04-18 CN disclosed
CN-109069414-B Igemeine for the treatment of neurodegenerative diseases 西格马瑟拉公司 2022-01-14 CN disclosed
EP-3903767-A1 IGMESINE FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SigmaThera SAS (FR) 2021-11-03 EP disclosed
US-11129801-B2 Igmesine for use in the treatment of neurodegenerative diseases SIGMATHERA SAS (FR) 2021-09-28 US disclosed
EP-3413870-B1 IGMESINE FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE SIGMATHERA SAS (FR) 2021-08-04 EP disclosed
EP-3517103-A1 EXTENDED RELEASE FORMULATIONS OF RASAGILINE AND USES THEREOF Pharma Two B Ltd. (IL) 2019-07-31 EP disclosed
EP-2531181-B1 EXTENDED RELEASE FORMULATIONS OF RASAGILINE AND USES THEREOF PHARMA TWO B LTD (IL) 2019-04-10 EP disclosed
WO-2005056513-A1 ASYMMETRIC IMINE HYDROGENATION PROCESSES ABDUR-RASHID KAMALUDDIN (CA) 2005-06-23 WO disclosed
WO-2005051371-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISORDERS AND DISEASES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2005-06-09 WO disclosed
WO-2004082706-A2 IFN-BETA ALONE OR IN COMBINATION WITH OTHER MEDICAMENTS FOR TREATING ALZHEIMER'S DISEASE AND DEMENS DISORDERS ARES TRADING S.A. (CH) 2004-09-30 WO disclosed
US-20030195260-A1 Methods and pharmaceutical compositions employing S(+)-desmethylselegiline to treat neoplastic diseases or conditions DISANTO ANTHONY R (US) 2003-10-16 US disclosed
US-20030191191-A1 Methods for preventing and treating peripheral neuropathy by administering desmethylselegiline delivery compositions SOMERSET PHARMACEUTICALS, INC. 2003-10-09 US disclosed
US-6528082-B2 Both malignant and benign neoplasms SOMERSET PHARMACEUTICALS, INC. 2003-03-04 US disclosed
US-20020037930-A1 Both malignant and benign neoplasms SOMERSET PHARMACEUTICALS, INC. 2002-03-28 US disclosed
WO-2002019964-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS EMPLOYING DESMETHYLSELEGILINE TO TREAT NEOPLASTIC DISEASES OR CONDITIONS SOMERSET PHARMACEUTICALS, INC. (UM) 2002-03-14 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 (4 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-20030195260-A1 Methods and pharmaceutical compositions employing S(+)-desmethylselegiline to treat neoplastic diseases or conditions PYGL, SRM, SMS SIGMAR1 2245/4885GAA 132/4885MAPT 2453/4885
US-11129801-B2 Igmesine for use in the treatment of neurodegenerative diseases CLN6, MSN, PMP22 SIGMAR1 2385/4885GAA 337/4885MAPT 20/4885
US-20020037930-A1 Both malignant and benign neoplasms BRCA1, KRAS, VHL SIGMAR1 2009/4885GAA 569/4885MAPT 4012/4885
US-20030191191-A1 Methods for preventing and treating peripheral neuropathy by administering desmethylselegiline delivery compositions RECQL, SMN1; SMN2, PRPH SIGMAR1 2631/4885GAA 1351/4885MAPT 1718/4885

“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.