SCHEMBL16633107

SCHEMBL16633107

Cc1ccc(S(=O)(=O)O)c(CCCNC(C)c2cccc(C#N)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.38
CASR P41180 2/20 0.38
HTR1A P08908 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
HTR6 P50406 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CNR1 P21554 11/20 0.36

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
SCHEMBL16634084 0.80 SCN8A (0.50) TBXA2RHTR2ACNR1
SCHEMBL16633108 0.80 SCN8A (0.40) TBXA2RADRA2BADRA2CSLC6A2HRH1
SCHEMBL2964170 0.76 TBXA2R (0.40) TBXA2R
SCHEMBL16634085 0.75 KCNN4 (0.35) TBXA2R
SCHEMBL16633648 0.75 SCN8A (0.47) TBXA2RHTR2ACNR1NAMPT
SCHEMBL16633106 0.73 GFER (0.45) TBXA2R
SCHEMBL16633649 0.72 KCNN4 (0.37) TBXA2RHTR6
SCHEMBL5718625 0.71 GAA (0.39)
SCHEMBL30723203 0.71 GAA (0.39)
SCHEMBL816601 0.71 GAA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238632-B2 3-cyanoanilinoalkylarylpiperazine derivative and use thereof in preparing drugs NHWA Pharma, Corporation (CN) 2016-01-19 US disclosed
US-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-04-16 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-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS HTR5A, HTR3C, HTR3A TBXA2R 700/4885CASR 2811/4885HTR1A 22/4885

“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.