SCHEMBL16706802

SCHEMBL16706802

COc1ccccc1N1CCN(C(=O)c2csc(CN(Cc3cccc(C(F)(F)F)c3)Cc3ccc4c(c3)OCO4)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 1/20 0.50
NR1H4 Q96RI1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL16706837 0.93 NR1H4 (0.50) MAPTLMNAALDH1A1NPSR1NPC1
SCHEMBL16706817 0.91 NR1H4 (0.45) MAPTLMNAALDH1A1NPSR1NPC1
SCHEMBL18931483 0.90 MAPT (0.53) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL16710059 0.90 NR1H4 (0.43) MAPTLMNAALDH1A1NPSR1NPC1
SCHEMBL16706826 0.90 SCD5 (0.49) MAPTLMNAALDH1A1NR1H4SMN1; SMN2
SCHEMBL16706870 0.89 NR1H4 (0.48) MAPTLMNANPSR1NR1H4SMN1; SMN2
SCHEMBL16706779 0.89 MAPT (0.55) MAPTLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL18427096 0.88 LMNA (0.42) MAPTLMNAALDH1A1NPSR1NPC1
SCHEMBL18940550 0.88 ALDH1A1 (0.54) MAPTLMNAALDH1A1NPSR1NPC1
SCHEMBL16710140 0.88 MAPT (0.50) MAPTLMNAALDH1A1NPSR1NPC1

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-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 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 (1 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-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 MAPT 1886/4885LMNA 214/4885ALDH1A1 1191/4885

“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.