SCHEMBL16706785

SCHEMBL16706785

C=C(c1csc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc(OC)cc2OC)n1)N1CCN(c2ccccc2OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 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
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
DRD4 P21917 1/20 0.38

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
SCHEMBL16706845 0.94 SMN1; SMN2 (0.39) ADRA1DADRA1AADRA1BMAPTALDH1A1
SCHEMBL16706871 0.94 KDM4E (0.44) ADRA1DADRA1AADRA1BMAPTALDH1A1
SCHEMBL16710137 0.92 MAPT (0.52) ADRA1DADRA1AADRA1BMAPTALDH1A1
SCHEMBL16706790 0.90 SMN1; SMN2 (0.48) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL16706713 0.89 SMN1; SMN2 (0.52) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL16706700 0.89 SMN1; SMN2 (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL16706801 0.89 ALDH1A1 (0.42) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL16706797 0.87 MAPT (0.47) ADRA1DADRA1AADRA1BMAPTALDH1A1
SCHEMBL16706818 0.87 SMN1; SMN2 (0.47) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL16706814 0.87 BMP1 (0.46) ALDH1A1LMNAKDM4EMEN1KMT2A

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-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.