SCHEMBL2957622

SCHEMBL2957622

CN(C)C1CCN(CCC2CCOc3cc(S(=O)(=O)c4cccc(F)c4)ccc32)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 14/20 0.41
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
KCNH2 Q12809 2/20 0.40
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
HTR7 P34969 2/20 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
SCHEMBL13240503 0.90 HTR2A (0.39) HTR2AHTR2CHTR6PKMPKLR
SCHEMBL14200033 0.89 KCNH2 (0.40) HTR2AHTR2CHTR6PKMPKLR
SCHEMBL2953292 0.87 HTR2A (0.39) HTR2AHTR2CHTR6KCNH2HTR1A
SCHEMBL2952107 0.86 HTR6 (0.40) HTR2AHTR6PKMPKLRKCNH2
SCHEMBL2952104 0.85 HTR6 (0.47) HTR2AHTR6PKMPKLRKCNH2
Hydrochloric Acid SCHEMBL2963663 0.84 HTR6 (0.46) HTR2AHTR6PKMPKLRKCNH2
SCHEMBL2963683 0.78 HTR6 (0.49) HTR6PKMPKLR
SCHEMBL2953919 0.76 HTR6 (0.44) HTR6PKMPKLR
SCHEMBL2960638 0.75 HTR6 (0.53) HTR6
SCHEMBL2953515 0.73 HTR6 (0.48) HTR6PKMPKLR

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
US-7759389-B2 Chroman derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-20 US claimed
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 HTR2A 169/4885HTR2C 501/4885HTR6 348/4885

“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.