SCHEMBL3904064

SCHEMBL3904064

CC(=NCC1CCCc2cc(S(=O)(=O)Nc3ccccc3)ccc21)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.58
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL3904061 1.00 HTR6 (0.58) HTR6ADRB2ADRB1HTR2CHTR2B
SCHEMBL3913193 0.90 HTR6 (0.56) HTR6
SCHEMBL3913194 0.90 HTR6 (0.56) HTR6
SCHEMBL3952173 0.88 HTR6 (0.74) HTR6HTR2CHTR2B
SCHEMBL3952171 0.88 HTR6 (0.74) HTR6HTR2CHTR2B
SCHEMBL3902324 0.79 HTR6 (0.57) HTR6
SCHEMBL13840416 0.78 HTR6 (0.71) HTR6
SCHEMBL3912579 0.75 HTR6 (0.62) HTR6
SCHEMBL3910059 0.74 HTR6 (0.48) HTR6
SCHEMBL3910056 0.74 HTR6 (0.48) HTR6

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-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 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-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof HTR6, TPH1, HTR1B HTR6 1/4885ADRB2 132/4885ADRB1 92/4885

“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.