SCHEMBL314649

SCHEMBL314649

N#CC1=C(S(=O)(=O)c2ccccc2)CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.42
HTR6 P50406 2/20 0.38
MAOB P27338 1/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 3/20 0.34
ABCB1 P08183 2/20 0.34
ABCC1 P33527 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
PNMT P11086 1/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL26080880 0.70 SRD5A2 (0.46) CES1MAOBMAPTALDH1A1LMNA
SCHEMBL9720856 0.68 CES1 (0.42) CES1MAOBMAPTALDH1A1LMNA
SCHEMBL2063312 0.68 CES1 (0.42) CES1MAOBMAPTALDH1A1LMNA
(Phenylsulfonyl)Benzene SCHEMBL11784548 0.63 HTR6 (0.64) HTR6MAOBMAPTALDH1A1NPSR1
Dihydrophenanthrene SCHEMBL28876918 0.63 CES1 (0.65) CES1MAOBALDH1A1LMNAKDM4E
(Phenylsulfonyl)Benzene SCHEMBL1549229 0.63 HTR6 (0.93) HTR6MAPTALDH1A1TDP1POLB
(Phenylsulfonyl)Benzene SCHEMBL5537560 0.63 HTR6 (0.93) HTR6MAPTALDH1A1TDP1POLB
(Phenylsulfonyl)Benzene SCHEMBL31438298 0.62 HTR6 (0.70) HTR6MAPTALDH1A1LMNAHPGD
(Phenylsulfonyl)Benzene SCHEMBL11524345 0.62 HTR6 (0.70) HTR6MAPTALDH1A1LMNAHPGD
SCHEMBL161783 0.62 HTR6 (0.61) HTR6MAOBMAPTABCB1ABCC1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2021-09-16 US disclosed
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2020-04-16 US disclosed
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2018-11-08 US disclosed
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2017-08-31 US disclosed
US-9670151-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2017-06-06 US disclosed
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2015-09-24 US disclosed
US-8889906-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2014-11-18 US disclosed
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2012-04-12 US disclosed
US-8093424-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-7981923-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
EP-1831159-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-01-20 EP disclosed
EP-2041079-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-04-01 EP disclosed
US-20080293751-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2008-11-27 US disclosed
US-20080015256-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
WO-2007147763-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
US-7312359-B2 2-(5-Benzenesulfonyl-indan-1-yl)-ethylamine, used as selective serotonin receptor antagonists for treatment of nervous system and gastrointestinal disorders ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 US disclosed
EP-1831159-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-20060167255-A1 2-(5-Benzenesulfonyl-indan-1-yl)-ethylamine, used as selective serotonin receptor antagonists for treatment of nervous system and gastrointestinal disorders ROCHE PALO ALTO LLC 2006-07-27 US disclosed
WO-2006066790-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF 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 (10 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-20080015256-A1 Tetralin and indane derivatives and uses thereof INSRR, TTN, INSR CES1 4320/4885HTR6 1360/4885MAOB 1440/4885
US-20060167255-A1 2-(5-Benzenesulfonyl-indan-1-yl)-ethylamine, used as selective serotonin receptor antagonists for treatment of nervous system and gastrointestinal disorders HTR2A, HTR1A, HTR5A CES1 1609/4885HTR6 7/4885MAOB 137/4885
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ARSA, AR, SULT2A1 CES1 1162/4885HTR6 427/4885MAOB 898/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 CES1 3732/4885HTR6 939/4885MAOB 1543/4885
US-20080293751-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR CES1 4169/4885HTR6 1638/4885MAOB 1590/4885
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR CES1 4169/4885HTR6 1638/4885MAOB 1590/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 CES1 3161/4885HTR6 829/4885MAOB 1177/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 CES1 3161/4885HTR6 829/4885MAOB 1177/4885
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR CES1 4169/4885HTR6 1638/4885MAOB 1590/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 CES1 3161/4885HTR6 829/4885MAOB 1177/4885

“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.