SCHEMBL644307

SCHEMBL644307

N#CC1=CCCc2cc(Sc3cccc(F)c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
HAO1 Q9UJM8 1/20 0.33
MGLL Q99685 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP11B2 P19099 1/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
CYP19A1 P11511 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
SCHEMBL10110749 0.86 MAOA (0.47) KDM4CMAOAMAOBCYP19A1
SCHEMBL643762 0.84 HAO1 (0.32) KDM4CHAO1
SCHEMBL9523645 0.81 CYP11B2 (0.38) CYP3A4CYP11B2CYP19A1
SCHEMBL17361744 0.77 KDM4C (0.36) KDM4CMAOAMAOBHAO1MGLL
Hydrochloric Acid SCHEMBL30558475 0.76 KDM4C (0.36) KDM4CMAOAMAOBHAO1MGLL
SCHEMBL14775682 0.76 KDM4C (0.44) KDM4CHAO1MGLLPARP10PARP11
SCHEMBL641724 0.74 KDM4C (0.39) KDM4CHAO1MGLLPARP10PARP11
SCHEMBL769025 0.72 PARP1 (0.40) KDM4CCYP3A4CYP11B2PARP10CYP19A1
SCHEMBL643507 0.71 MAOA (0.37) MAOAMAOB
SCHEMBL642086 0.70 MAOA (0.54) KDM4CMAOAMAOBPARP10PARP11

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 14 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-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 KDM4C 1363/4885MAOA 2897/4885MAOB 2165/4885
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 KDM4C 1334/4885MAOA 2990/4885MAOB 2178/4885

“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.