SCHEMBL642669

SCHEMBL642669

NC(=O)C1=CCCc2cc(Sc3ccccc3)cc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
GRM2 Q14416 1/20 0.31
MAP2 P11137 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
EPHX1 P07099 1/20 0.30
BCL2 P10415 1/20 0.30

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
SCHEMBL2517057 0.91 BRD4 (0.32) SIRT1NCOA1NCOA3
SCHEMBL644016 0.89 EPHX1 (0.36) SIRT1GRM2CA2CA4EPHX1
SCHEMBL10110763 0.79 BCL2 (0.44) SIRT1NCOA1NCOA3ALDH1A1HPGD
SCHEMBL643507 0.74 MAOA (0.37) ALDH1A1HPGDMCL1
SCHEMBL315736 0.70 GRM5 (0.38)
SCHEMBL13513214 0.68 HTR2C (0.31)
SCHEMBL644343 0.68 HTR6 (0.38) SIRT1NCOA1NCOA3
SCHEMBL14775682 0.67 KDM4C (0.44) EPHX1BCL2MCL1
SCHEMBL2513812 0.66 MAOA (0.42) EPHX1
SCHEMBL643762 0.64 HAO1 (0.32)

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-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
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-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
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
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 SIRT1 2751/4885NCOA1 1912/4885NCOA3 3314/4885
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 SIRT1 2744/4885NCOA1 2037/4885NCOA3 3419/4885

“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.