SCHEMBL325273

SCHEMBL325273

CCCCCS(=O)(=O)C1Cc2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.45
METAP1 P53582 4/20 0.42
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39
CYP19A1 P11511 1/20 0.37
TSHR P16473 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
SCHEMBL1136558 0.77 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8170903 0.75 ACHE (0.56) ACHEMETAP1CYP19A1TSHR
SCHEMBL6528990 0.73 ACHE (0.62) ACHEMETAP1CYP19A1
SCHEMBL8556555 0.72 ACHE (0.60) ACHEMETAP1CYP19A1
SCHEMBL11379093 0.72 ACHE (0.52) ACHEMETAP1CYP19A1TSHR
SCHEMBL7731771 0.72 ACHE (0.56) ACHEMETAP1CYP19A1TSHR
SCHEMBL28804495 0.72 ACHE (0.52) ACHEMETAP1CYP19A1TSHR
SCHEMBL1853465 0.71 ACHE (0.63) ACHEMETAP1CYP19A1
SCHEMBL16738816 0.69 ACHE (0.49) ACHEMETAP1PSEN1PSEN2APH1B
SCHEMBL14534943 0.69 ACHE (0.49) ACHEMETAP1CYP19A1TSHR

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 25 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
EP-1831159-B1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2010-01-20 EP 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
EP-1831189-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
EP-1831152-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF AS 5-HT ANTAGONISTS 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-2006066748-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF AS 5-HT ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066745-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO 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-20060160825-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR ACHE 1551/4885METAP1 1290/4885PSEN1 105/4885
US-20060154965-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR ACHE 1551/4885METAP1 1290/4885PSEN1 105/4885
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 ACHE 329/4885METAP1 2135/4885PSEN1 1480/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 ACHE 531/4885METAP1 2180/4885PSEN1 59/4885
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR ACHE 1551/4885METAP1 1290/4885PSEN1 105/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 ACHE 233/4885METAP1 1970/4885PSEN1 3/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 ACHE 233/4885METAP1 1970/4885PSEN1 3/4885
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR ACHE 1551/4885METAP1 1290/4885PSEN1 105/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 ACHE 233/4885METAP1 1970/4885PSEN1 3/4885

“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.