SCHEMBL16710052

SCHEMBL16710052

CC(C)CCNC(=O)c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
S1PR2 O95136 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
PPARG P37231 1/20 0.42
BCHE P06276 1/20 0.41
UBE2M P61081 4/20 0.40
DCUN1D1 Q96GG9 4/20 0.40
FLT1 P17948 2/20 0.40
KDR P35968 1/20 0.40
PANK3 Q9H999 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 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
SCHEMBL16710026 0.93 NPC1 (0.45) FAAHALDH1A1GAANPSR1KDM4E
SCHEMBL16710030 0.92 FAAH (0.46) FAAHALDH1A1GAANPSR1KDM4E
SCHEMBL16710035 0.90 FAAH (0.45) FAAHALDH1A1NPSR1KDM4EHTT
SCHEMBL16710139 0.90 NPC1 (0.45) FAAHPPARGUBE2MDCUN1D1FLT1
SCHEMBL16710050 0.90 UBE2M (0.46) FAAHALDH1A1GAANPSR1KDM4E
SCHEMBL16710118 0.89 UBE2M (0.45) FAAHALDH1A1GAANPSR1KDM4E
SCHEMBL16706717 0.89 FAAH (0.51) FAAHALDH1A1NPSR1MAPTPPARG
SCHEMBL16710029 0.89 PPARG (0.51) FAAHALDH1A1HTTMAPTHPGD
SCHEMBL16710032 0.89 PPARG (0.51) FAAHALDH1A1HTTMAPTHPGD
SCHEMBL16710043 0.88 ALDH1A1 (0.45) FAAHALDH1A1GAANPSR1KDM4E

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 FAAH 1296/4885ALDH1A1 1367/4885GAA 1759/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 FAAH 1670/4885ALDH1A1 1191/4885GAA 1800/4885

“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.