SCHEMBL2963326

SCHEMBL2963326

N#C/C=C1\CCOc2cc(S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.42
PKM P14618 4/20 0.37
PKLR P30613 1/20 0.37
GRM5 P41594 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TSHR P16473 1/20 0.35
PNMT P11086 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2963328 1.00 HTR6 (0.42) HTR6PKMPKLRGRM5HTR2C
SCHEMBL2950170 0.78 GRM5 (0.56) HTR6PKMPKLRGRM5HTR2C
SCHEMBL29960518 0.75 MEN1 (0.40) PKMGRM5TSHRALDH1A1SMN1; SMN2
SCHEMBL624687 0.75 MEN1 (0.40) PKMGRM5TSHRALDH1A1SMN1; SMN2
SCHEMBL624686 0.75 MEN1 (0.40) PKMGRM5TSHRALDH1A1SMN1; SMN2
SCHEMBL31028049 0.73 LMNA (0.40) GRM5
SCHEMBL13479262 0.71 PKM (0.65) HTR6PKMPKLRTSHRL3MBTL1
SCHEMBL5226382 0.70 MAPK1 (0.40) GRM5ALDH1A1SMN1; SMN2
SCHEMBL2953913 0.70 HTR6 (0.57) HTR6PKMPKLRHTR2CHTR2B
SCHEMBL2950348 0.70 HTR6 (0.56) HTR6PKMPKLRTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759389-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-20 US disclosed
US-7759389-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-20 US disclosed
US-7759389-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-20 US disclosed
EP-1831191-B1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-05-21 EP disclosed
EP-1831191-B1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-05-21 EP disclosed
EP-1831191-A1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-20060148888-A1 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-06 US disclosed
WO-2006066746-A1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS 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-20060148888-A1 Chroman derivatives and uses thereof RB1, RECQL, CCNY HTR6 348/4885PKM 778/4885PKLR 1237/4885

“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.