SCHEMBL3844022

SCHEMBL3844022

O=S(=O)(c1cccc(Cl)c1)c1ccc2c(c1)CCC2N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.54
HTR2C P28335 3/20 0.45
CYP3A4 P08684 2/20 0.43
HTR2B P41595 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 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
SCHEMBL3840250 0.90 HTR6 (0.67) HTR6HTR2CHTR2BALDH1A1THRB
SCHEMBL3842279 0.86 HTR6 (0.45) HTR6HTR2CHTR2BALDH1A1MAPK1
SCHEMBL3840272 0.84 HTR2C (0.55) HTR6HTR2CHTR2B
SCHEMBL3839924 0.83 HTR6 (0.64) HTR6HTR2CHTR2BALDH1A1THRB
SCHEMBL3092592 0.81 FNTA (0.53) HTR2CHTR2BMAPTMAPK1NPSR1
SCHEMBL3840194 0.80 HTR2C (0.59) HTR6HTR2CHTR2B
SCHEMBL3841615 0.77 HTR2C (0.53) HTR6HTR2CHTR2B
SCHEMBL4865743 0.76 HTR6 (0.47) HTR6HTR2CCYP3A4HTR2B
SCHEMBL13989700 0.74 HTR2C (0.55) HTR6HTR2CHTR2B
SCHEMBL3840397 0.74 HTR6 (0.61) HTR6HTR2CHTR2B

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 12 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
JP-2008524274-A 2008-07-10 JP claimed
CN-101124210-A Tetrahydronaphthalene and indane derivatives and their use ROCHE PALO ALTO LLC (CH) 2008-02-13 CN 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
US-20060160825-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-20 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-20060160825-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR HTR6 1638/4885HTR2C 1508/4885CYP3A4 185/4885

“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.