SCHEMBL316167

SCHEMBL316167

O=C1c2ccccc2CCC1S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
HTR6 P50406 1/20 0.50
CYP19A1 P11511 4/20 0.44
CES1 P23141 1/20 0.44
KDM4E B2RXH2 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
HTR1A P08908 2/20 0.41
AKR1C3 P42330 1/20 0.41
ACHE P22303 1/20 0.41
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL28222973 0.88 NPC1 (0.49) MAPTHTR6CYP19A1CES1SIGMAR1
SCHEMBL16738816 0.83 ACHE (0.49) MAPTHTR6CYP19A1CES1KDM4E
SCHEMBL29521877 0.80 CES1 (0.47) MAPTCYP19A1CES1KDM4ESIGMAR1
SCHEMBL10583071 0.80 CES1 (0.47) MAPTHTR6CYP19A1CES1KDM4E
SCHEMBL10399251 0.80 CES1 (0.47) MAPTCYP19A1CES1KDM4ESIGMAR1
SCHEMBL29924839 0.80 CYP26A1 (0.47) MAPTHTR6SIGMAR1ACHEDRD2
SCHEMBL27772918 0.79 KDM4E (0.46) MAPTCYP19A1CES1KDM4ESIGMAR1
SCHEMBL11784556 0.78 HTR6 (0.77) MAPTHTR6KDM4ESIGMAR1AKR1C3
SCHEMBL21060838 0.73 MAPT (0.63) MAPTHTR6KDM4EACHEHTR2A
SCHEMBL314549 0.73 HTR6 (0.40) MAPTHTR6KDM4EAKR1C3

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 29 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-1831152-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF AS 5-HT ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP 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
US-20060160825-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-20 US disclosed
US-20060154965-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-13 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 (11 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 MAPT 905/4885HTR6 1360/4885CYP19A1 66/4885
US-20060160825-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR MAPT 618/4885HTR6 1638/4885CYP19A1 36/4885
US-20060154965-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR MAPT 618/4885HTR6 1638/4885CYP19A1 36/4885
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 MAPT 2906/4885HTR6 7/4885CYP19A1 1402/4885
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ARSA, AR, SULT2A1 MAPT 4183/4885HTR6 427/4885CYP19A1 89/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 MAPT 145/4885HTR6 939/4885CYP19A1 1105/4885
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR MAPT 618/4885HTR6 1638/4885CYP19A1 36/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 MAPT 44/4885HTR6 829/4885CYP19A1 1443/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 MAPT 44/4885HTR6 829/4885CYP19A1 1443/4885
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR MAPT 618/4885HTR6 1638/4885CYP19A1 36/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 MAPT 44/4885HTR6 829/4885CYP19A1 1443/4885

“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.