SCHEMBL3842279

SCHEMBL3842279

NC1CCN(C2CCc3cc(S(=O)(=O)c4cccc(Cl)c4)ccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.45
HTR2B P41595 1/20 0.45
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CHRM2 P08172 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.38

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
SCHEMBL3844022 0.86 HTR6 (0.54) HTR6HTR2BMEN1ALDH1A1KMT2A
SCHEMBL3840327 0.83 HTR6 (0.59) HTR6ALDH1A1LMNA
SCHEMBL3841936 0.83 HTR6 (0.50) HTR6HTR2BALDH1A1LMNAHTR2C
SCHEMBL3840250 0.75 HTR6 (0.67) HTR6HTR2BALDH1A1LMNACHRM2
SCHEMBL315805 0.71 HTR6 (0.80) HTR6
SCHEMBL3840359 0.70 HTR6 (0.57) HTR6ALDH1A1LMNAHTTMAPK1
SCHEMBL3840272 0.70 HTR2C (0.55) HTR6HTR2BHTR2C
SCHEMBL27752358 0.69 HTR6 (0.58) HTR6
SCHEMBL3839924 0.69 HTR6 (0.64) HTR6HTR2BALDH1A1LMNAHTR2C
SCHEMBL30364101 0.69 CHRNA7 (0.46)

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 9 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
CN-101124210-A Tetrahydronaphthalene and indane derivatives and their use ROCHE PALO ALTO LLC (CH) 2008-02-13 CN claimed
US-20060160825-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-20 US 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 1638/4885HTR2B 2354/4885MEN1 13/4885

“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.