SCHEMBL316908

SCHEMBL316908

O=C1CCCc2cc(S(=O)(=O)c3ccccc3F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.56
HTR2B P41595 1/20 0.56
MAOA P21397 7/20 0.45
MAOB P27338 7/20 0.45
CYP2A6 P11509 1/20 0.45
GRM5 P41594 1/20 0.45
PRKCI P41743 1/20 0.44
HTR2A P28223 5/20 0.40
HSD17B1 P14061 1/20 0.40
HSD11B1 P28845 1/20 0.40
CNR1 P21554 1/20 0.39
MAPK14 Q16539 1/20 0.38
KCNH2 Q12809 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3854743 0.92 HTR2C (0.59) HTR2CHTR2BGRM5HTR2AHSD17B1
SCHEMBL316166 0.81 GRM5 (0.54) HTR2CHTR2BMAOAMAOBCYP2A6
SCHEMBL3093600 0.80 HTR2C (0.56) HTR2CHTR2BMAOAMAOB
SCHEMBL17361761 0.74 MAOA (0.56) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL315219 0.74 MAOA (0.55) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL17362096 0.74 MAOA (0.46) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL29649370 0.73 CA1 (0.66) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL20638456 0.73 CA1 (0.66) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL6602441 0.73 MAOB (0.50) MAOAMAOBCYP2A6GRM5PRKCI
SCHEMBL8635876 0.73 HSD17B1 (0.56) MAOAMAOBCYP2A6GRM5PRKCI

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 HTR2C 1135/4885HTR2B 2062/4885MAOA 1333/4885
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 HTR2C 4/4885HTR2B 12/4885MAOA 153/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 HTR2C 858/4885HTR2B 1180/4885MAOA 1394/4885
US-20080293751-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR HTR2C 1508/4885HTR2B 2354/4885MAOA 1589/4885
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR HTR2C 1508/4885HTR2B 2354/4885MAOA 1589/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR2C 1874/4885HTR2B 1918/4885MAOA 1523/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR2C 1874/4885HTR2B 1918/4885MAOA 1523/4885
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR HTR2C 1508/4885HTR2B 2354/4885MAOA 1589/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR2C 1874/4885HTR2B 1918/4885MAOA 1523/4885

“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.