SCHEMBL315896

SCHEMBL315896

NCCCC1(S(=O)(=O)c2ccccc2)CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.39
HTR2A P28223 3/20 0.39
HTR1A P08908 2/20 0.39
GAA P10253 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
KDM1A O60341 3/20 0.36
MAOB P27338 1/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 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
SCHEMBL315609 0.92 KDM1A (0.43) HTR7HTR2AHTR1AGAAMCOLN3
SCHEMBL315773 0.92 GAA (0.39) HTR7HTR2AHTR1AGAAMCOLN3
SCHEMBL316500 0.84 GAA (0.41) HTR7HTR2AHTR1AGAAMCOLN3
Hydrochloric Acid SCHEMBL314663 0.83 GAA (0.40) HTR7HTR2AHTR1AGAAMCOLN3
SCHEMBL315719 0.80 GAA (0.36) HTR7HTR2AHTR1AGAAMCOLN3
SCHEMBL2860313 0.80 GAA (0.36) HTR7HTR2AHTR1AGAAMCOLN3
SCHEMBL2847385 0.76 HTR7 (0.33) HTR7HTR2AHTR1AGAAMCOLN3
Iodide SCHEMBL315798 0.75 HTR7 (0.33) HTR7HTR2AHTR1AGAAMCOLN3
SCHEMBL315919 0.73 MAOA (0.42) MAOB
SCHEMBL316150 0.73 LMNA (0.42) HTR7HTR2AHTR1AGAAMCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2015-09-24 US claimed
EP-1831159-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-01-20 EP claimed
CN-101119965-A Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (CH) 2008-02-06 CN claimed
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 claimed
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 claimed
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
EP-1831159-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-01-20 EP disclosed
US-20080293751-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2008-11-27 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-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 HTR7 13/4885HTR2A 1/4885HTR1A 2/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 HTR7 23/4885HTR2A 1595/4885HTR1A 787/4885
US-20080293751-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR HTR7 750/4885HTR2A 1395/4885HTR1A 1561/4885
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR HTR7 750/4885HTR2A 1395/4885HTR1A 1561/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR7 87/4885HTR2A 1692/4885HTR1A 884/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR7 87/4885HTR2A 1692/4885HTR1A 884/4885
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR HTR7 750/4885HTR2A 1395/4885HTR1A 1561/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR7 87/4885HTR2A 1692/4885HTR1A 884/4885

“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.