SCHEMBL12428528

SCHEMBL12428528

COCCNC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21

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
SCHEMBL2205913 1.00 HTR6 (1.00) HTR6
SCHEMBL317212 0.88 HTR6 (1.00) HTR6
SCHEMBL317211 0.88 HTR6 (1.00) HTR6
SCHEMBL316085 0.87 HTR6 (0.79) HTR6
SCHEMBL19303358 0.86 HTR6 (0.75) HTR6
SCHEMBL20694150 0.85 HTR6 (0.80) HTR6
SCHEMBL316484 0.84 HTR6 (0.81) HTR6
SCHEMBL12428612 0.84 HTR6 (0.81) HTR6
SCHEMBL2203025 0.83 HTR6 (1.00) HTR6
SCHEMBL12428541 0.83 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 9 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 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-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
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
US-20080015256-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US 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 (2 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 1360/4885
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.