SCHEMBL17216313

SCHEMBL17216313

CCC/[C]=N/OCc1ccccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.37
DRD2 P14416 4/20 0.37
GRIN2B Q13224 3/20 0.36
GRIN1 Q05586 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 4/20 0.35
PPARG P37231 2/20 0.33
CYP2D6 P10635 2/20 0.33
KCNH2 Q12809 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
NR1I2 O75469 1/20 0.33
RORC P51449 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX2 P34913 1/20 0.32
KCNN3 Q9UGI6 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL17216314 1.00 SLC6A3 (0.37) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL17216454 0.92 SLC6A3 (0.36) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL17216452 0.92 SLC6A3 (0.36) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL17216488 0.89 GRIN2B (0.40) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL17216486 0.89 GRIN2B (0.40) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL17219633 0.82 IDO1 (0.49) GRIN1
SCHEMBL17219632 0.82 IDO1 (0.49) GRIN1
SCHEMBL17216504 0.80 IDO1 (0.49) SLC6A2SLC6A4
SCHEMBL17217618 0.80 SLC6A2 (0.40) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL17217620 0.80 SLC6A2 (0.40) SLC6A3DRD2GRIN2BGRIN1SLC6A2

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
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 EP disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 US disclosed
EP-2940012-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF Sumitomo Chemical Company Limited (JP) 2015-11-04 EP 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-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 SLC6A3 3916/4885DRD2 1617/4885GRIN2B 2333/4885

“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.