SCHEMBL16710035

SCHEMBL16710035

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
PPARG P37231 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
UBE2M P61081 4/20 0.41
DCUN1D1 Q96GG9 4/20 0.41
GPR52 Q9Y2T5 1/20 0.41
FLT1 P17948 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDR P35968 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
FYN P06241 2/20 0.39
ACHE P22303 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
SCHEMBL16710030 0.92 FAAH (0.46) FAAHPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL16710050 0.91 UBE2M (0.46) FAAHPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL16710139 0.91 NPC1 (0.45) FAAHPPARGSMN1; SMN2UBE2MDCUN1D1
SCHEMBL16710118 0.90 UBE2M (0.45) FAAHPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL16710052 0.90 FAAH (0.44) FAAHPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL16706717 0.90 FAAH (0.51) FAAHPPARGALDH1A1NPSR1UBE2M
SCHEMBL16710029 0.90 PPARG (0.51) FAAHPPARGALDH1A1TSHRLMNA
SCHEMBL16710032 0.90 PPARG (0.51) FAAHPPARGALDH1A1TSHRLMNA
SCHEMBL16710026 0.89 NPC1 (0.45) FAAHPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL16710124 0.87 PPARG (0.51) FAAHPPARGALDH1A1KDM4ENPSR1

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 1296/4885PPARG 2922/4885ALDH1A1 1367/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 FAAH 1670/4885PPARG 3022/4885ALDH1A1 1191/4885

“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.