SCHEMBL6219280

SCHEMBL6219280

CS(=O)(=O)O.Cc1c(Cl)c(CCN2CCN(c3nsc4ccccc34)CC2)cc2c1NC(=O)CC2(C)C

nearest known ligand 0.55

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 20)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 12/20 0.55
DRD2 known ✓ P14416 10/20 0.54
HTR1A known ✓ P08908 2/20 0.54
ADRA2A known ✓ P08913 1/20 0.54
CHRM1 known ✓ P11229 1/20 0.54
ADRA2B known ✓ P18089 1/20 0.54
ADRA2C known ✓ P18825 1/20 0.54
DRD1 known ✓ P21728 1/20 0.54
DRD4 known ✓ P21917 1/20 0.54
SLC6A2 known ✓ P23975 1/20 0.54
ADRA1D known ✓ P25100 1/20 0.54
HTR2C known ✓ P28335 1/20 0.54
SLC6A4 known ✓ P31645 1/20 0.54
ADRA1A known ✓ P35348 1/20 0.54
ADRA1B known ✓ P35368 1/20 0.54
DRD3 known ✓ P35462 1/20 0.54
KDR known ✓ P35968 1/20 0.54
HTR3A known ✓ P46098 1/20 0.54
SLC6A3 known ✓ Q01959 1/20 0.54
HTR7 P34969 4/20 0.54

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
SCHEMBL5766407 0.95 HTR2A (0.59) HTR2ADRD2HTR7HTR6KCNH2
SCHEMBL6748047 0.86 HTR2A (0.61) HTR2ADRD2HTR7HTR6KCNH2
SCHEMBL6751052 0.85 HTR2A (0.53) HTR2ADRD2HTR7HTR6KCNH2
Hydrochloric Acid SCHEMBL6219187 0.85 HTR2A (0.60) HTR2ADRD2HTR7HTR6KCNH2
SCHEMBL6188860 0.84 HTR2A (0.70) HTR2ADRD2HTR7HTR6KCNH2
SCHEMBL5766916 0.82 HTR2A (0.73) HTR2ADRD2HTR7HTR6KCNH2
SCHEMBL9369746 0.81 HTR2A (0.75) HTR2ADRD2HTR7HTR6KCNH2
SCHEMBL6751044 0.81 HTR1A (0.61) HTR2ADRD2HTR7HTR6KCNH2
SCHEMBL6184766 0.81 HTR2A (0.75) HTR2ADRD2HTR7HTR6KCNH2
SCHEMBL6219278 0.81 HTR2A (0.49) HTR2ADRD2HTR7HTR6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546143-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2005-06-29 EP claimed
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 US claimed
WO-2004026864-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 WO claimed
EP-1546143-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2005-06-29 EP disclosed
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 US disclosed
WO-2004026864-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 HTR2A 16/4885DRD2 2/4885HTR1A 17/4885

“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.