SCHEMBL16706763

SCHEMBL16706763

CCOc1ccccc1N1CCN(C(=O)c2csc(CN(Cc3ccc(C)cc3)Cc3ccc4c(c3)OCO4)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
MMP13 P45452 2/20 0.42
MMP1 P03956 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL18940549 0.94 ADRA1D (0.47) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL16706779 0.93 MAPT (0.55) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL16706837 0.89 NR1H4 (0.50) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL16706797 0.88 MAPT (0.47) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL18931483 0.87 MAPT (0.53) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL18940550 0.86 ALDH1A1 (0.54) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL18427093 0.85 THRB (0.38) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL16710106 0.84 MEN1 (0.48) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL16706812 0.83 KMT2A (0.47) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL16710137 0.83 MAPT (0.52) ADRA1DADRA1AADRA1BKMT2AMEN1

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 6 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 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 (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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 ADRA1D 11/4885ADRA1A 15/4885ADRA1B 13/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 ADRA1D 19/4885ADRA1A 16/4885ADRA1B 12/4885

“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.