SCHEMBL314642

SCHEMBL314642

NC(=O)CC1(S(=O)(=O)c2ccccc2)CCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
AKR1B1 P15121 2/20 0.37
KDM1A O60341 2/20 0.37
HDAC9 Q9UKV0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KIF11 P52732 1/20 0.36
HTR2A P28223 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR2C P28335 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL315713 0.90 GAA (0.41) GAAMCOLN3AKR1B1HDAC9HTR2A
SCHEMBL20549647 0.85 GAA (0.35) GAAMCOLN3AKR1B1KDM1AHDAC9
SCHEMBL315731 0.84 AKR1B1 (0.38) AKR1B1HDAC9MEN1KMT2A
SCHEMBL316500 0.82 GAA (0.41) GAAMCOLN3AKR1B1KDM1AMEN1
Hydrochloric Acid SCHEMBL314663 0.81 GAA (0.40) GAAMCOLN3AKR1B1KDM1AMEN1
SCHEMBL315609 0.80 KDM1A (0.43) GAAMCOLN3AKR1B1KDM1AMEN1
SCHEMBL315669 0.79 GAA (0.42) GAAMCOLN3AKR1B1KDM1AHDAC9
SCHEMBL315173 0.79 GAA (0.42) GAAMCOLN3AKR1B1KDM1AHDAC9
SCHEMBL314981 0.76 GAA (0.38) GAAMCOLN3AKR1B1MEN1KMT2A
SCHEMBL316150 0.76 LMNA (0.42) GAAMCOLN3AKR1B1KDM1AMEN1

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 17 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
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 GAA 3595/4885MCOLN3 1344/4885AKR1B1 1107/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 GAA 3729/4885MCOLN3 500/4885AKR1B1 1091/4885
US-20080293751-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR GAA 3526/4885MCOLN3 335/4885AKR1B1 950/4885
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR GAA 3526/4885MCOLN3 335/4885AKR1B1 950/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 GAA 3715/4885MCOLN3 1510/4885AKR1B1 1433/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 GAA 3715/4885MCOLN3 1510/4885AKR1B1 1433/4885
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR GAA 3526/4885MCOLN3 335/4885AKR1B1 950/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 GAA 3715/4885MCOLN3 1510/4885AKR1B1 1433/4885

“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.