SCHEMBL5659873

SCHEMBL5659873

CS(=O)(=O)O.O=C1N(CCO)CCN1c1ccccc1

nearest known ligand 0.56

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 10)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 11/20 0.56
DRD3 known ✓ P35462 11/20 0.56
DRD4 known ✓ P21917 1/20 0.45
HTR2A known ✓ P28223 1/20 0.45
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 2/20 0.49
KCNH2 Q12809 7/20 0.46

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
SCHEMBL5659037 0.91 DRD2 (0.65) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL5659878 0.79 DRD2 (0.55) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL14698020 0.79 DRD2 (0.65) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL8416073 0.76 DRD2 (0.55) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL17080505 0.76 DRD2 (0.48) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL17080578 0.76 DRD2 (0.48) DRD2DRD3RAB9AHDAC1KCNH2
SCHEMBL12209953 0.76 S1PR1 (0.62) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL8471981 0.75 HDAC1 (0.56) DRD2DRD3RAB9AHDAC1KCNH2
SCHEMBL6226262 0.75 DRD2 (0.65) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL8393737 0.75 RAB9A (0.64) DRD2DRD3MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 DRD2 402/4885DRD3 395/4885DRD4 498/4885

“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.