SCHEMBL16706705

SCHEMBL16706705

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BCHE P06276 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.43
TSHR P16473 1/20 0.43
MMP1 P03956 2/20 0.42
MMP13 P45452 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
IDO1 P14902 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
SCHEMBL16706771 0.93 TDP1 (0.42) OGANPC1RAB9ABCHETDP1
SCHEMBL16706691 0.92 KMT2A (0.50) OGANPC1RAB9ABCHETDP1
SCHEMBL18939746 0.92 OGA (0.47) OGANPC1RAB9ABCHETSHR
SCHEMBL16706677 0.90 NPC1 (0.50) NPC1RAB9ABCHETDP1FAAH
SCHEMBL16706687 0.90 MMP1 (0.45) OGATSHRMMP1MMP13MMP2
SCHEMBL16706669 0.89 MMP1 (0.45) OGATDP1FAAHTSHRMMP1
SCHEMBL16706789 0.88 MEN1 (0.52) NPC1RAB9ATDP1FAAHLMNA
SCHEMBL16710024 0.88 TDP1 (0.57) NPC1TDP1FAAHTSHRL3MBTL1
SCHEMBL16706708 0.88 TAS1R3 (0.54) FAAHTSHRMMP1MMP13MMP2
SCHEMBL16706793 0.86 FAAH (0.51) NPC1RAB9ATDP1FAAHMMP1

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 8 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-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-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-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
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 OGA 1872/4885NPC1 1181/4885RAB9A 1672/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 OGA 1949/4885NPC1 1465/4885RAB9A 1933/4885

“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.