SCHEMBL314548

SCHEMBL314548

COC(=O)C=C1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.42
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PNMT P11086 1/20 0.39
RXRA P19793 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP3 Q96P20 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL314547 1.00 HTR6 (0.42) HTR6HTR2CHTR2BPNMTRXRA
SCHEMBL1697861 0.88 HTR6 (0.42) HTR6HTR2CHTR2BPNMTRXRA
SCHEMBL1706929 0.78 HTR2C (0.46) HTR6HTR2CHTR2BPNMT
SCHEMBL316166 0.73 GRM5 (0.54) HTR6HTR2CHTR2BPNMT
SCHEMBL13513169 0.72 HTR2C (0.50) HTR6HTR2CHTR2BPNMT
SCHEMBL3404627 0.70 MAOB (0.53)
SCHEMBL3404626 0.70 MAOB (0.53)
SCHEMBL3450462 0.70 CYP19A1 (0.56) RXRAMEN1KMT2A
SCHEMBL3450465 0.70 CYP19A1 (0.56) RXRAMEN1KMT2A
SCHEMBL29041971 0.68 SRD5A1 (0.48)

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 21 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
US-7671235-B2 N-[6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-N-methyl-methanesulfonamide; 5-HT6 and 5-HT2A receptor modulators; selectiveserotonin reuptake inhibitors; selective seotonin receptor antagonists;gastrointestinal disorders; irritable bowel syndrome; cental nervous system ROCHE PALO ALTO LLC (US) 2010-03-02 US disclosed
EP-1831159-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-01-20 EP disclosed
EP-2035370-A2 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-03-18 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-2007147771-A2 TETRALIN AND INDANE 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
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 (9 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 HTR6 1360/4885HTR2C 1135/4885HTR2B 2062/4885
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 HTR6 7/4885HTR2C 4/4885HTR2B 12/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 HTR6 939/4885HTR2C 858/4885HTR2B 1180/4885
US-20080293751-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR HTR6 1638/4885HTR2C 1508/4885HTR2B 2354/4885
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR HTR6 1638/4885HTR2C 1508/4885HTR2B 2354/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR6 829/4885HTR2C 1874/4885HTR2B 1918/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR6 829/4885HTR2C 1874/4885HTR2B 1918/4885
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR HTR6 1638/4885HTR2C 1508/4885HTR2B 2354/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR6 829/4885HTR2C 1874/4885HTR2B 1918/4885

“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.