SCHEMBL696332

SCHEMBL696332

CCO/N=C/c1c[c]ccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 1/20 0.31
ACHE P22303 2/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL27925873 1.00 SMN1; SMN2 (0.36) SMN1; SMN2NPC1GAARAB9ATAAR1
SCHEMBL696333 1.00 SMN1; SMN2 (0.36) SMN1; SMN2NPC1GAARAB9ATAAR1
SCHEMBL6569064 0.87 PPARG (0.40) SMN1; SMN2NPC1GAARAB9ATAAR1
SCHEMBL6569069 0.87 PPARG (0.40) SMN1; SMN2NPC1GAARAB9ATAAR1
SCHEMBL6568517 0.84 PPARG (0.43) TAAR1MEN1KMT2AFAAH
SCHEMBL6568522 0.84 PPARG (0.43) TAAR1MEN1KMT2AFAAH
SCHEMBL7626213 0.83 NPC1 (0.34) SMN1; SMN2NPC1GAARAB9ATAAR1
SCHEMBL6569050 0.83 PPARG (0.39) FAAH
SCHEMBL6568997 0.82 PPARG (0.39) SMN1; SMN2NPC1GAARAB9ATAAR1
SCHEMBL6568981 0.82 FAAH (0.39) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770027-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2017-09-26 US disclosed
US-20150351403-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-10 US disclosed
US-9150565-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2015-10-06 US disclosed
US-20140206646-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-07-24 US disclosed
US-8759527-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-24 US disclosed
EP-2423210-A1 Heteroarylpiperidine and heteroarylpiperazine derivatives as fungicides Bayer CropScience AG (DE) 2012-02-29 EP disclosed
US-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide KUREHA CORPORATION (JP) 2005-05-12 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 (3 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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide HBZ, ACMSD, HDHD5 SMN1; SMN2 4784/4885NPC1 3612/4885GAA 4856/4885
US-20150351403-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 SMN1; SMN2 4224/4885NPC1 2734/4885GAA 485/4885
US-20140206646-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 SMN1; SMN2 4224/4885NPC1 2734/4885GAA 485/4885

“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.