SCHEMBL642040

SCHEMBL642040

NC(=O)NCC1CCCc2cc(S(=O)(=O)c3cccc(F)c3)cc(F)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00

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
SCHEMBL642039 1.00 HTR6 (1.00) HTR6
SCHEMBL3370315 0.91 HTR6 (0.84) HTR6
SCHEMBL12428537 0.91 HTR6 (0.83) HTR6
SCHEMBL2204283 0.91 HTR6 (0.83) HTR6
SCHEMBL12428542 0.89 HTR6 (1.00) HTR6
SCHEMBL2202492 0.89 HTR6 (1.00) HTR6
SCHEMBL2201521 0.89 HTR6 (0.79) HTR6
SCHEMBL12428539 0.89 HTR6 (0.79) HTR6
Landipirdine SCHEMBL29387818 0.87 HTR6 (1.00) HTR6
Landipirdine SCHEMBL315956 0.87 HTR6 (1.00) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981923-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US claimed
US-20100130742-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HARRIS III RALPH NEW 2010-05-27 US claimed
EP-2035370-A2 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-03-18 EP claimed
US-20080015256-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US claimed
WO-2007147771-A2 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO claimed
US-9365494-B2 Process for synthesis of amino-methyl tetralin derivatives ROCHE PALO ALTO LLC (US) 2016-06-14 US disclosed
EP-2379491-B1 Process for synthesis of amino-methyl tetraline derivatives HOFFMANN LA ROCHE (CH) 2013-03-20 EP disclosed
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES DURKIN KIERAN (US) 2012-12-20 US disclosed
US-8119842-B2 Process for synthesis of amino-methyl tetralin derivatives Roche Palo Alto LLP (US) 2012-02-21 US disclosed
US-7981923-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
US-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES ROCHE PALO ALTO LLC 2010-06-24 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-2035370-A2 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-03-18 EP 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

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

For each of this compound's patents that has machine-readable text (4 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-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 HTR6 1893/4885
US-20080015256-A1 Tetralin and indane derivatives and uses thereof INSRR, TTN, INSR HTR6 1360/4885
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 HTR6 1965/4885
US-20100130742-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, TTN, INSR HTR6 1360/4885

“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.