SCHEMBL6859196

SCHEMBL6859196

NC(C[C@@H](N)c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.55
F2 P00734 1/20 0.55
SCN4A P35499 4/20 0.54
HTR2A P28223 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
GBA1 P04062 1/20 0.50
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
HRH1 P35367 1/20 0.46

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
SCHEMBL16367913 1.00 DPP4 (0.55) DPP4F2SCN4AHTR2ATAAR1
SCHEMBL6859189 1.00 DPP4 (0.55) DPP4F2SCN4AHTR2ATAAR1
SCHEMBL2521653 1.00 DPP4 (0.55) DPP4F2SCN4AHTR2ATAAR1
SCHEMBL11415966 0.85 TAAR1 (0.48) SCN4ATAAR1
SCHEMBL5914545 0.85 TAAR1 (0.48) DPP4F2SCN4ATAAR1
SCHEMBL28853589 0.85 SCN4A (0.47) DPP4F2SCN4AHTR2ATAAR1
SCHEMBL3701549 0.85 SCN4A (0.47) DPP4F2SCN4AHTR2ATAAR1
SCHEMBL13995085 0.85 TAAR1 (0.48) DPP4F2SCN4ATAAR1
SCHEMBL6856102 0.85 TAAR1 (0.48) DPP4F2SCN4ATAAR1
Hydrochloric Acid SCHEMBL16292126 0.83 ALDH1A1 (0.48) DPP4F2SCN4ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039675-B2 Catalysts JOHNSON MATTHEY PLC (GB) 2011-10-18 US disclosed
US-20100197976-A1 CATALYSTS JOHNSON MATTHEY PLC (GB) 2010-08-05 US disclosed
EP-1849792-B1 Biphosphine ruthenium complexes with chiral diamine ligands as catalysts JOHNSON MATTHEY PLC (GB) 2008-12-10 EP disclosed
US-6790973-B2 REDUCTION OF KETONE TO ALCOHOL USING COMPLEX CATALYST KANTO KAGAKU KABUSHIKI KAISHA (JP) 2004-09-14 US disclosed
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these KANTO KAGAKU KABUSHIKI KAISHA (JP) 2003-09-04 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-20100197976-A1 CATALYSTS HRH3, HRH2, PRMT8 DPP4 4328/4885F2 1047/4885SCN4A 4104/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 DPP4 4409/4885F2 577/4885SCN4A 3938/4885

“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.