SCHEMBL798333

SCHEMBL798333

CN1CCCC1Cc1c[nH]c2ccc(/C=C/S(=O)(=O)c3ccccc3)cc12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.66
HTR1B P28222 6/20 0.65
HTR1A P08908 3/20 0.65
CHRM2 P08172 1/20 0.65
ADRA2A P08913 1/20 0.65
CHRM1 P11229 1/20 0.65
DRD1 P21728 1/20 0.65
SLC6A2 P23975 1/20 0.65
OPRM1 P35372 1/20 0.65
SLC6A3 Q01959 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
HTR1D P28221 5/20 0.58
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR1F P30939 2/20 0.56
HTR7 P34969 2/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL505790 1.00 HTR6 (0.66) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL505788 1.00 HTR6 (0.66) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL505789 1.00 HTR6 (0.66) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL10083480 1.00 HTR6 (0.66) HTR6HTR1BHTR1ACHRM2ADRA2A
Bromide SCHEMBL505855 0.99 HTR6 (0.65) HTR6HTR1BHTR1ACHRM2ADRA2A
Bromide SCHEMBL505856 0.99 HTR6 (0.65) HTR6HTR1BHTR1ACHRM2ADRA2A
Bromide SCHEMBL505854 0.99 HTR6 (0.65) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL1069045 0.96 HTR6 (0.64) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL1069044 0.96 HTR6 (0.64) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL1069043 0.96 HTR6 (0.64) HTR6HTR1BHTR1ACHRM2ADRA2A

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-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF USV Limited B.S.D. Mar (IN) 2012-03-22 US disclosed
WO-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 WO disclosed
US-6201131-B1 REACTING A 2-(ARYLSUFONYL) ETHANOL DERIVATIVE WITH AN ACID ANHYDRIDE IN PRESENCE OF A BASE, FURTHER REACTING THIS WITH AN AROMATIC HALIDE IN THE PRESENCE OF A PALLADIUM CATALYST; USEFUL AS INTERMEDIATES TO DRUGS, AGROCHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-13 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 (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-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF HTR3C, SLC6A4, HTR3A HTR6 28/4885HTR1B 21/4885HTR1A 12/4885

“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.