SCHEMBL3079121

SCHEMBL3079121

C#CCNC1C=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.44
MAOA P21397 9/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1A P35348 2/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HTR6 P50406 1/20 0.44
HTR2A P28223 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
NFKB1 P19838 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL27842888 1.00 MAOB (0.44) MAOBMAOAADRA2BADRA2CADRA1A
SCHEMBL27759010 1.00 MAOB (0.44) MAOBMAOAADRA2BADRA2CADRA1A
SCHEMBL30995707 0.91 MAOB (0.51) MAOBMAOAADRA2BADRA2CADRA1A
SCHEMBL1051972 0.91 MAOB (0.51) MAOBMAOAADRA2BADRA2CADRA1A
Tartaric Acid SCHEMBL30356997 0.86 MAOB (0.36) MAOBMAOAADRA2BADRA2CADRA1A
Cadaverine Tartrate SCHEMBL28970956 0.86 MAOB (0.36) MAOBMAOAADRA2BADRA2CADRA1A
SCHEMBL29004430 0.77 SIGMAR1 (0.40) ADRA2BADRA2CADRA1ABCHEACHE
SCHEMBL28762120 0.74 SIGMAR1 (0.49) MAOABCHEACHEHTR6HTR2A
SCHEMBL28661848 0.74 SIGMAR1 (0.41) ADRA2BADRA2CADRA1AHTR6HTR2A
SCHEMBL27670715 0.74 SIGMAR1 (0.49) MAOABCHEACHEHTR6HTR2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947675-B Rasagiline intermediate and preparation method and application thereof 博济医药科技股份有限公司 2024-05-31 CN disclosed
CN-115947675-A Rasagiline intermediate and preparation method and application thereof 博济医药科技股份有限公司 2023-04-11 CN disclosed
US-9820937-B2 Pharmaceutical composition formulated for pre-gastric absorption of monoamine oxidase B inhibitors R.P. SCHERER TECHNOLOGIES, LLC (US) 2017-11-21 US disclosed
CN-102276491-B Method for preparing midbody of rasagiline CHIRAL QUEST BIOCHEMICAL SUZHOU CO LTD 2014-03-05 CN disclosed
CN-102464589-A Preparation method of rasagiline, mesylate and intermediate thereof CHIRAL QUEST SUZHOU CO LTD 2012-05-23 CN disclosed
CN-102276491-A Method for preparing midbody of rasagiline 2011-12-14 CN disclosed
US-20100227933-A1 PHARMACEUTICAL COMPOSITION FORMULATED FOR PRE-GASTRIC ABSORPTION OF MONOAMINE OXIDASE B INHIBITORS BREWER FRANCESCA MARY 2010-09-09 US disclosed
CN-101381314-A Preparation method of (R)-(+)-N-propargyl-1-indan amines CHENGDU HEALTHCARE PHARMACEUTI (CN) 2009-03-11 CN disclosed
EP-0814789-B2 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOAMINE OXIDASE B INHIBITORS SCHERER TECHNOLOGIES INC R P (US) 2008-01-09 EP disclosed
US-20050106241-A1 Pharmaceutical composition formulated for pre-gastric absorption of monoamine oxidase B inhibitors CATALENT PHARMA SOLUTIONS, INC. 2005-05-19 US disclosed
EP-0814789-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOAMINE OXIDASE B INHIBITORS SCHERER TECHNOLOGIES INC R P (US) 2003-05-28 EP disclosed
US-20010021722-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOAMINE OXIDASE B INHIBITORS BREWER FRANCESCA MARY (GB) 2001-09-13 US disclosed
EP-0814789-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOAMINE OXIDASE B INHIBITORS R.P. Scherer Limited (GB) 1998-01-07 EP disclosed
WO-1996026720-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOAMINE OXIDASE B INHIBITORS R.P. SCHERER LIMITED (GB) 1996-09-06 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-20010021722-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOAMINE OXIDASE B INHIBITORS MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885ADRA2B 68/4885
US-20100227933-A1 PHARMACEUTICAL COMPOSITION FORMULATED FOR PRE-GASTRIC ABSORPTION OF MONOAMINE OXIDASE B INHIBITORS MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885ADRA2B 113/4885
US-20050106241-A1 Pharmaceutical composition formulated for pre-gastric absorption of monoamine oxidase B inhibitors MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885ADRA2B 113/4885

“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.