SCHEMBL16706765

SCHEMBL16706765

C=C(c1csc(CN(Cc2ccc(C)cc2)Cc2ccc3c(c2)OCO3)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 3/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
PHGDH O43175 6/20 0.41
RUVBL1 Q9Y265 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16706784 0.94 LMNA (0.46) KMT2ACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL16706833 0.92 TSHR (0.45) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL16710135 0.91 NPSR1 (0.49) KMT2ACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL16706808 0.89 MAPT (0.43) KMT2ACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL16706847 0.87 TSHR (0.40) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL16706774 0.86 UBE2M (0.40) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL16710140 0.85 MAPT (0.50) KMT2ACYP2D6CYP2C19MEN1CYP1A2
SCHEMBL16706864 0.85 UBE2M (0.39) KMT2AMEN1NPSR1MAPTLMNA
SCHEMBL16706811 0.85 ALDH1A1 (0.37) NPSR1MAPTLMNAHTTSMN1; SMN2
SCHEMBL16706747 0.84 UBE2M (0.45) KMT2AMEN1MAPTLMNASMN1; SMN2

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 KMT2A 976/4885CYP2D6 3462/4885CYP2C19 2749/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 KMT2A 904/4885CYP2D6 3334/4885CYP2C19 3502/4885

“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.