SCHEMBL2169701

SCHEMBL2169701

CN1CCC(Nc2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR4 Q5NUL3 2/20 0.47
HTR2A P28223 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
EPHX1 P07099 2/20 0.44
EPHX2 P34913 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43

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
SCHEMBL2169741 0.86 HSD17B3 (0.49) HTR6SMN1; SMN2HTR2ACYP3A4CYP2D6
SCHEMBL2183002 0.85 CYP3A4 (0.49) HTR6SMN1; SMN2HTR2ACYP3A4CYP2D6
SCHEMBL2169945 0.84 HTR6 (0.50) HTR6HTR2ACYP3A4CYP2D6MAPT
SCHEMBL2183994 0.84 CYP3A4 (0.49) HTR6HTR2ACYP3A4CYP2D6PKM
SCHEMBL2169936 0.83 HTR6 (0.49) HTR6HTR2ACYP3A4CYP2D6MAPT
Hydrochloric Acid SCHEMBL6118475 0.83 CYP3A4 (0.48) HTR6HTR2ACYP3A4CYP2D6PKM
SCHEMBL2170099 0.81 CYP3A4 (0.47) HTR6SMN1; SMN2HTR2ACYP3A4CYP2D6
SCHEMBL6118740 0.77 CYP3A4 (0.52) HTR6SMN1; SMN2HTR2ACYP3A4CYP2D6
SCHEMBL2185914 0.77 ALDH1A1 (0.50) HTR6HTR2ACYP3A4HTR2C
SCHEMBL26536689 0.76 FFAR4 (0.63) SMN1; SMN2FFAR4MAPTEPHX2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346847-B1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2013-05-15 EP claimed
US-20120129816-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-05-24 US claimed
EP-2346847-B1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2013-05-15 EP disclosed
US-8404720-B2 Aryl sulfonamide amine compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LIMITED (IN) 2013-03-26 US disclosed
US-20120129816-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-05-24 US disclosed
EP-2346847-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2011-07-27 EP disclosed
WO-2010032258-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 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-20120129816-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR5A HTR6 1/4885SMN1; SMN2 822/4885FFAR4 217/4885

“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.