SCHEMBL3374040

SCHEMBL3374040

NC(=O)NC[C@@H]1CCCc2cc(Sc3cccc(F)c3)ccc21.NC[C@@H]1CCCc2cc(Sc3cccc(F)c3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.62
KDM4C Q9H3R0 5/20 0.59

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
SCHEMBL642668 0.96 HTR6 (0.67) HTR6KDM4C
SCHEMBL642667 0.96 HTR6 (0.67) HTR6KDM4C
SCHEMBL17362249 0.87 HTR6 (0.60) HTR6KDM4C
SCHEMBL10110840 0.87 HTR6 (0.60) HTR6KDM4C
Hydrochloric Acid SCHEMBL641914 0.86 HTR6 (0.59) HTR6KDM4C
SCHEMBL643297 0.83 HTR6 (0.66) HTR6KDM4C
SCHEMBL643298 0.83 HTR6 (0.66) HTR6KDM4C
SCHEMBL17362028 0.78 KDM4C (0.53) HTR6KDM4C
SCHEMBL14299176 0.77 HTR6 (0.57) HTR6KDM4C
Landipirdine SCHEMBL315956 0.77 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 4 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
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-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 1363/4885
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 HTR6 1965/4885KDM4C 1334/4885

“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.