SCHEMBL16710108

SCHEMBL16710108

COc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NCCc3ccc(OC)c(OC)c3)cs2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 4/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.45
NAMPT P43490 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16706745 0.96 RAB9A (0.46) HTR2AHTR2CHTR2BRAB9AMEN1
SCHEMBL16710105 0.94 RAB9A (0.51) HTR2AHTR2CHTR2BRAB9AKMT2A
SCHEMBL16706725 0.91 RAB9A (0.49) HTR2AHTR2CHTR2BRAB9AMEN1
SCHEMBL16710113 0.90 RAB9A (0.44) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16706810 0.89 KMT2A (0.43) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16710095 0.89 TP53 (0.52) HTR2AHTR2CHTR2BRAB9AKMT2A
SCHEMBL16706739 0.88 KMT2A (0.43) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16710028 0.88 KDM4E (0.46) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL16706690 0.88 SMN1; SMN2 (0.46) HTR2AHTR2CHTR2BKMT2AMAPT
SCHEMBL16710109 0.87 HTR2A (0.52) HTR2AHTR2CHTR2BMAPTSMN1; 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 HTR2A 911/4885HTR2C 1879/4885HTR2B 2750/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 HTR2A 476/4885HTR2C 1443/4885HTR2B 2496/4885

“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.