SCHEMBL314549

SCHEMBL314549

COC(=O)C=C1c2ccccc2CCC1S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
AKR1C3 P42330 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL316167 0.73 MAPT (0.51) HTR6AKR1C3MAPTKDM4E
SCHEMBL30835693 0.68 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11784556 0.68 HTR6 (0.77) HTR6AKR1C3MAPTSMN1; SMN2ALDH1A1
SCHEMBL14279596 0.65 PDPK1 (0.47) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3714836 0.63 CYP19A1 (0.41) MAPTSMN1; SMN2RAB9AMTNR1AMTNR1B
SCHEMBL15520896 0.63 CYP19A1 (0.41) MAPTSMN1; SMN2RAB9AMTNR1AMTNR1B
SCHEMBL314547 0.62 HTR6 (0.42) HTR6MEN1KMT2A
SCHEMBL314548 0.62 HTR6 (0.42) HTR6MEN1KMT2A
SCHEMBL27324699 0.61 ALDH1A1 (0.40) MAPTSMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL29521877 0.61 CES1 (0.47) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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-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-20100130742-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HARRIS III RALPH NEW 2010-05-27 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
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
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 (10 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 1360/4885AKR1C3 766/4885MAPT 905/4885
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 7/4885AKR1C3 1453/4885MAPT 2906/4885
US-20100130742-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, TTN, INSR HTR6 1360/4885AKR1C3 766/4885MAPT 905/4885
US-20180319743-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF CYP3A7, PARK7, IPO5 HTR6 939/4885AKR1C3 648/4885MAPT 145/4885
US-20080293751-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR HTR6 1638/4885AKR1C3 1307/4885MAPT 618/4885
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR HTR6 1638/4885AKR1C3 1307/4885MAPT 618/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR6 829/4885AKR1C3 1689/4885MAPT 44/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR6 829/4885AKR1C3 1689/4885MAPT 44/4885
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR HTR6 1638/4885AKR1C3 1307/4885MAPT 618/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 HTR6 829/4885AKR1C3 1689/4885MAPT 44/4885

“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.