SCHEMBL644343

SCHEMBL644343

NC(=O)[C@@H]1CCCc2cc(Sc3ccccc3)cc(F)c21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.38
KDM4C Q9H3R0 7/20 0.37
SIRT1 Q96EB6 5/20 0.36
SIRT2 Q8IXJ6 4/20 0.36
MGLL Q99685 2/20 0.34
DRD1 P21728 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL645874 0.89 KDM4C (0.43) HTR6KDM4CSIRT1MGLL
SCHEMBL14299175 0.80 KDM4C (0.49) HTR6KDM4CSIRT1SIRT2
SCHEMBL10110856 0.79 HTR6 (0.40) HTR6KDM4C
Hydrochloric Acid SCHEMBL641981 0.78 HTR6 (0.40) HTR6KDM4CDRD1
SCHEMBL643588 0.76 HTR6 (0.67) HTR6KDM4C
SCHEMBL643589 0.76 HTR6 (0.67) HTR6KDM4C
SCHEMBL13288491 0.76 HTR6 (0.40) HTR6KDM4CDRD1
Hydrochloric Acid SCHEMBL642292 0.75 HTR6 (0.35) HTR6KDM4CDRD1
SCHEMBL642955 0.74 KDM4C (0.51) HTR6KDM4CMGLL
SCHEMBL643834 0.74 KDM4C (0.51) HTR6KDM4CMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365494-B2 Process for synthesis of amino-methyl tetralin derivatives ROCHE PALO ALTO LLC (US) 2016-06-14 US disclosed
US-9365494-B2 Process for synthesis of amino-methyl tetralin derivatives ROCHE PALO ALTO LLC (US) 2016-06-14 US disclosed
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-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-8119842-B2 Process for synthesis of amino-methyl tetralin derivatives Roche Palo Alto LLP (US) 2012-02-21 US disclosed
EP-2379491-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010069778-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
WO-2010069778-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
US-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES ROCHE PALO ALTO LLC 2010-06-24 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 (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-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 HTR6 1893/4885KDM4C 1363/4885SIRT1 2751/4885
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 HTR6 1965/4885KDM4C 1334/4885SIRT1 2744/4885

“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.