SCHEMBL1051972

SCHEMBL1051972

C#CCN[C@@H]1C=Cc2ccccc21.CS(=O)(=O)O

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 16/20 0.51
ADRA2B known ✓ P18089 1/20 0.38
ADRA2C known ✓ P18825 1/20 0.38
ADRA1A known ✓ P35348 1/20 0.38
MAOA P21397 11/20 0.51
ACHE P22303 4/20 0.38
BCHE P06276 2/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL30995707 1.00 MAOB (0.51) MAOBMAOAACHEBCHEADRA2B
SCHEMBL27759010 0.91 MAOB (0.44) MAOBMAOAACHEBCHEADRA2B
SCHEMBL3079121 0.91 MAOB (0.44) MAOBMAOAACHEBCHEADRA2B
SCHEMBL27842888 0.91 MAOB (0.44) MAOBMAOAACHEBCHEADRA2B
Tartaric Acid SCHEMBL30356997 0.84 MAOB (0.36) MAOBMAOAACHEBCHEADRA2B
Cadaverine Tartrate SCHEMBL28970956 0.84 MAOB (0.36) MAOBMAOAACHEBCHEADRA2B
SCHEMBL27564190 0.70 HTR2A (0.38) ADRA2BADRA2CADRA1AHTR6
SCHEMBL27788995 0.70 HTR2A (0.36) MAOBMAOAADRA2BADRA2CADRA1A
SCHEMBL29004430 0.70 SIGMAR1 (0.40) ACHEBCHEADRA2BADRA2CADRA1A
SCHEMBL7065657 0.70 BCHE (0.46) ACHEBCHEADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118141772-A Ropinirole Luo Jia hydrochloride sulfonic acid rasagiline compound orally disintegrating controlled release tablet and preparation method thereof 四川鲁徽制药有限责任公司 2024-06-07 CN disclosed
CN-116082166-A Preparation method of rasagiline mesylate 上海复旦复华药业有限公司 2023-05-09 CN disclosed
US-20110015274-A1 FORM OF AN AMINOINDAN MESYLATE DERIVATIVE MEDICHEM, S.A. (ES) 2011-01-20 US disclosed
US-20100041920-A1 NEW SALT FORMS OF AN AMINOINDAN DERIVATIVE MEDICHEM, S.A. (ES) 2010-02-18 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-20110015274-A1 FORM OF AN AMINOINDAN MESYLATE DERIVATIVE RAB29, RAB6A, QDPR MAOB 491/4885ADRA2B 524/4885ADRA2C 695/4885
US-20100041920-A1 NEW SALT FORMS OF AN AMINOINDAN DERIVATIVE RAB35, RAB7A, RAB10 MAOB 2254/4885ADRA2B 343/4885ADRA2C 184/4885

“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.