SCHEMBL6522237

SCHEMBL6522237

CS(=O)(=O)O.NC1CCc2ccccc21

nearest known ligand 0.58

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 9)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 1/20 0.55
MAOA P21397 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PDPK1 O15530 1/20 0.47
ANPEP P15144 3/20 0.46
HTR6 P50406 1/20 0.45
IDO1 P14902 1/20 0.43
LMNA P02545 1/20 0.43

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
Sulfuric Acid SCHEMBL29677148 0.93 CA1 (0.51) MAOAMAOBCA1CA2ANPEP
Sulfuric Acid SCHEMBL4209900 0.93 CA1 (0.51) MAOAMAOBCA1CA2ANPEP
Methylamine SCHEMBL27747656 0.85 IDO1 (0.52) PDPK1ANPEPIDO1
SCHEMBL29858363 0.85 IDO1 (0.55) PDPK1ANPEPIDO1
SCHEMBL6600 0.85 IDO1 (0.55) PDPK1ANPEPIDO1
SCHEMBL29395342 0.85 IDO1 (0.55) PDPK1ANPEPIDO1
SCHEMBL42279 0.85 IDO1 (0.55) PDPK1ANPEPIDO1
SCHEMBL12787610 0.85 IDO1 (0.55) PDPK1ANPEPIDO1
SCHEMBL28840240 0.85 IDO1 (0.55) PDPK1ANPEPIDO1
SCHEMBL42780 0.85 IDO1 (0.55) PDPK1ANPEPIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103476404-B Transdermal composition comprising active agent layer and activating agent conversion coating 帝国制药美国公司 2017-09-29 CN claimed
CN-108186611-A Iodopropynylbutylcarbamate indane transdermal composition 帝国制药美国公司 2018-06-22 CN disclosed
US-8461388-B2 Process for the synthesis of propargylated aminoindan derivatives CIPLA LIMITED (IN) 2013-06-11 US disclosed
US-20110054218-A1 Process for the Synthesis of Propargylated Aminoindan Derivatives CIPLA LIMITED (IN) 2011-03-03 US disclosed
EP-0858328-A4 STABLE COMPOSITIONS CONTAINING N-PROPARGYL-1-AMINOINDAN TEVA PHARMA (IL) 2001-07-11 EP disclosed
EP-0858328-A2 STABLE COMPOSITIONS CONTAINING N-PROPARGYL-1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1998-08-19 EP disclosed
WO-1997012583-A2 STABLE COMPOSITIONS CONTAINING N-PROPARGYL-1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1997-04-10 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 (1 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-20110054218-A1 Process for the Synthesis of Propargylated Aminoindan Derivatives DAO, DDC, HRH2 MAOB 549/4885MAOA 811/4885CA1 3441/4885

“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.