SCHEMBL16706771

SCHEMBL16706771

Cc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(C(=O)NC(C)C(C)C)cs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
FAAH O00519 1/20 0.42
OGA O60502 1/20 0.41
BCHE P06276 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.39
IDO1 P14902 1/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 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
SCHEMBL16706705 0.93 OGA (0.48) TDP1FAAHOGABCHELMNA
SCHEMBL18427196 0.92 BCHE (0.42) OGABCHELMNAL3MBTL1MMP1
SCHEMBL16710129 0.91 BCHE (0.45) OGABCHELMNANPC1MAPT
SCHEMBL16706691 0.90 KMT2A (0.50) TDP1FAAHOGABCHELMNA
SCHEMBL16706677 0.89 NPC1 (0.50) TDP1FAAHBCHELMNAL3MBTL1
SCHEMBL16706687 0.88 MMP1 (0.45) OGAMMP1MMP2MMP9MMP13
SCHEMBL16706669 0.87 MMP1 (0.45) TDP1FAAHOGALMNAL3MBTL1
SCHEMBL16706789 0.86 MEN1 (0.52) TDP1FAAHLMNANPSR1NPC1
SCHEMBL16710024 0.86 TDP1 (0.57) TDP1FAAHLMNAL3MBTL1NPSR1
SCHEMBL16706708 0.86 TAS1R3 (0.54) FAAHMMP1MMP2MMP9MMP13

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 TDP1 575/4885FAAH 1296/4885OGA 1872/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 TDP1 593/4885FAAH 1670/4885OGA 1949/4885

“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.