SCHEMBL18940549

SCHEMBL18940549

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
TACR3 P29371 1/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APAF1 O14727 1/20 0.40

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
SCHEMBL16706763 0.94 ADRA1D (0.48) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL18940550 0.93 ALDH1A1 (0.54) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL16710101 0.90 ALDH1A1 (0.46) MAPTNPSR1LMNAALDH1A1MEN1
SCHEMBL16706837 0.88 NR1H4 (0.50) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL16706797 0.88 MAPT (0.47) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL16706779 0.86 MAPT (0.55) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL18931483 0.83 MAPT (0.53) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL16710132 0.83 ALDH1A1 (0.46) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL16706828 0.83 MMP13 (0.53) MAPTNPSR1LMNAALDH1A1HTT
SCHEMBL16710137 0.82 MAPT (0.52) ADRA1DADRA1AADRA1BMAPTNPSR1

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 2 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 ADRA1D 11/4885ADRA1A 15/4885ADRA1B 13/4885

“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.