SCHEMBL21767293

SCHEMBL21767293

CC(C)C(=O)CCNc1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.58
TRPC3 Q13507 1/20 0.58
TRPC4 Q9UBN4 1/20 0.58
TRPC5 Q9UL62 1/20 0.58
LMNA P02545 3/20 0.54
TSHR P16473 2/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 5/20 0.52
HTT P42858 2/20 0.52
ALPL P05186 2/20 0.51
ALPG P10696 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PLAA Q9Y263 1/20 0.51
TP53 P04637 2/20 0.50
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
CYP3A4 P08684 1/20 0.50
KCNH2 Q12809 1/20 0.50
PKM P14618 2/20 0.49

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
SCHEMBL7217435 0.83 BCHE (0.60) BCHETRPC3TRPC4TRPC5LMNA
SCHEMBL6764617 0.78 BCHE (0.65) BCHETRPC3TRPC4TRPC5LMNA
SCHEMBL8224952 0.78 NPC1 (0.54) LMNATSHRRAB9ASMN1; SMN2NPC1
SCHEMBL14638914 0.76 BCHE (0.67) BCHETRPC3TRPC4TRPC5LMNA
SCHEMBL5844930 0.76 BCHE (0.67) BCHETRPC3TRPC4TRPC5LMNA
SCHEMBL8464091 0.76 BCHE (0.82) BCHETRPC3TRPC4TRPC5LMNA
SCHEMBL14025138 0.76 BCHE (0.71) BCHETRPC3TRPC4TRPC5LMNA
SCHEMBL1106998 0.76 LMNA (0.69) LMNARAB9ASMN1; SMN2NPC1HTT
SCHEMBL21767298 0.75 BCHE (0.56) BCHETRPC3TRPC4TRPC5LMNA
SCHEMBL21767291 0.75 BCHE (0.56) BCHETRPC3TRPC4TRPC5LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200066421-A1 Wrapping-Tape Insulating System for Electrical Machines, Use Therefor, and Electrical Machine SIEMENS AKTIENGESELLSCHAFT (DE) 2020-02-27 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 (1 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-20200066421-A1 Wrapping-Tape Insulating System for Electrical Machines, Use Therefor, and Electrical Machine DOT1L, EZH2, ASH1L BCHE 873/4885TRPC3 4823/4885TRPC4 4619/4885

“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.