SCHEMBL16579366

SCHEMBL16579366

CC(C)(N)c1ccccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.43
ALOX12 P18054 1/20 0.40
TRPA1 O75762 1/20 0.37
DRD1 P21728 1/20 0.37
NR1I2 O75469 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.35
TNF P01375 1/20 0.35
ULK1 O75385 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
MEN1 O00255 1/20 0.34
APLNR P35414 1/20 0.33
PPARG P37231 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL12203322 0.84 SLC22A12 (0.45) SLC22A12ALOX12DRD1GAAKMT2A
SCHEMBL22023878 0.78 SLC22A12 (0.41) SLC22A12ALOX12DRD1KMT2ATNF
SCHEMBL22023792 0.78 SLC22A12 (0.41) SLC22A12ALOX12TRPA1DRD1KMT2A
SCHEMBL16579384 0.76 HSD11B1 (0.44) SLC22A12TRPA1L3MBTL1GAAPTGES2
SCHEMBL13363794 0.76 SLC22A12 (0.42) SLC22A12ALOX12TRPA1DRD1NR1I2
SCHEMBL4631777 0.75 CA1 (0.52) L3MBTL1GAAHTTADRA2B
SCHEMBL14144055 0.75 SLC22A12 (0.40) SLC22A12ALOX12DRD1KMT2ATNF
SCHEMBL20773645 0.74 SLC22A12 (0.41) SLC22A12ALOX12TRPA1DRD1NR1I2
SCHEMBL21376218 0.74 SLC22A12 (0.39) SLC22A12ALOX12GAAKMT2AMEN1
SCHEMBL4654255 0.73 DRD1 (0.48) SLC22A12ALOX12DRD1NR1I2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221948-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-04 US disclosed
US-20160221948-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-04 US disclosed
WO-2015037716-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 住友化学株式会社 (JP) 2015-03-19 WO 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-20160221948-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4, HRH4 SLC22A12 190/4885ALOX12 3687/4885TRPA1 1027/4885

“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.