SCHEMBL4358459

SCHEMBL4358459

CN(C)S(=O)(=O)Cc1ccc2[nH]cc(CCCOS(C)(=O)=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.58
HTR1D P28221 7/20 0.58
HTR1B P28222 7/20 0.58
HTR2A P28223 3/20 0.51
HTR2B P41595 2/20 0.51
HTR7 P34969 2/20 0.51
HTR5A P47898 2/20 0.51
HTR2C P28335 1/20 0.51
HTR1E P28566 1/20 0.51
HTR1F P30939 1/20 0.51
HTR3A P46098 1/20 0.51
SLC47A1 Q96FL8 1/20 0.51
LMNA P02545 1/20 0.47
ADRA2B P18089 1/20 0.47
KCNH2 Q12809 1/20 0.47
SLC6A4 P31645 9/20 0.44
MPO P05164 3/20 0.43
HTR6 P50406 1/20 0.40
KMT2A Q03164 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL9257254 0.84 HTR1D (0.65) HTR1AHTR1DHTR1BHTR2AHTR2B
SCHEMBL4347780 0.84 HTR1A (0.60) HTR1AHTR1DHTR1BHTR2AHTR2B
SCHEMBL9598772 0.81 HTR1D (0.63) HTR1AHTR1DHTR1BHTR2AHTR2B
SCHEMBL3702253 0.79 MPO (0.62) HTR2ASLC6A4MPO
SCHEMBL9371057 0.76 SPR (0.59) HTR1AHTR1DHTR2CLMNAHTR6
SCHEMBL4362228 0.76 SLC6A4 (0.61) HTR1ASLC6A4
SCHEMBL5338731 0.76 SLC6A4 (0.55) HTR1AHTR1DHTR1BHTR2AHTR2B
SCHEMBL5201036 0.75 MPO (0.61) HTR2ASLC6A4MPO
SCHEMBL6958283 0.75 SLC6A4 (0.57) HTR1AHTR1DHTR1BHTR2AHTR2B
SCHEMBL8632020 0.75 HTR1A (0.39) HTR1AHTR1DHTR1BHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
WO-2009137733-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 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-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION HTR5A, TPH2, IDO2 HTR1A 15/4885HTR1D 35/4885HTR1B 43/4885

“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.