SCHEMBL3840359

SCHEMBL3840359

CN1CCN(C2CCCc3cc(S(=O)(=O)c4ccccc4)ccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.57
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.44
MCOLN2 Q8IZK6 1/20 0.44
MCOLN1 Q9GZU1 1/20 0.44

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
SCHEMBL3839924 0.87 HTR6 (0.64) HTR6LMNAALDH1A1THRBTSHR
SCHEMBL3840327 0.87 HTR6 (0.59) HTR6LMNAALDH1A1THRBTSHR
SCHEMBL3840775 0.83 HTR6 (0.48) HTR6
SCHEMBL3840250 0.80 HTR6 (0.67) HTR6LMNAALDH1A1THRBTSHR
SCHEMBL10263415 0.78 HTR6 (0.66) HTR6
SCHEMBL21869968 0.78 HTR6 (0.66) HTR6
SCHEMBL3840397 0.78 HTR6 (0.61) HTR6
SCHEMBL3841615 0.77 HTR2C (0.53) HTR6
SCHEMBL5509514 0.77 HTR6 (0.67) HTR6
SCHEMBL6001969 0.76 CHRNA7 (0.68)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831189-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-11-11 EP claimed
US-7473690-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-06 US claimed
JP-2008524274-A 2008-07-10 JP claimed
EP-1831189-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2007-09-12 EP claimed
US-20060160825-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-20 US claimed
WO-2006066745-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO claimed
EP-1831189-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
EP-1831189-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7473690-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-06 US disclosed
US-7473690-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-06 US disclosed
US-7473690-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-06 US disclosed
EP-1831189-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-20060160825-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-20 US disclosed
WO-2006066745-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO 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-20060160825-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR HTR6 1638/4885LMNA 2341/4885HTT 121/4885

“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.