SCHEMBL5021188

SCHEMBL5021188

CC(Nc1cc(N(C)CCN(C)C)ccc1S(C)(=O)=O)c1cc(Cl)cc2c1OCCO2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL1748156 0.81 HTR6 (0.42) HTR6ADRA2CADRA1DADRA1AADRA1B
SCHEMBL1748198 0.76 HTR6 (0.50) HTR6
SCHEMBL475562 0.74 HTR6 (0.67) HTR6
Hydrochloric Acid SCHEMBL1748394 0.74 HTR6 (0.66) HTR6
SCHEMBL1748828 0.73 HTR6 (0.42) HTR6ADRA2CADRA1DADRA1AADRA1B
SCHEMBL1752758 0.70
Hydrochloric Acid SCHEMBL1752699 0.69
SCHEMBL1748289 0.67 HTR6 (0.67) HTR6
SCHEMBL13533164 0.62 GABRA1 (0.44)
SCHEMBL1748155 0.60 GABRA1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B HTR6 1/4885ADRA2C 24/4885ADRA1D 75/4885

“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.