SCHEMBL17217620

SCHEMBL17217620

CC(C)[C]=NOCc1ccccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 6/20 0.40
PDE9A O76083 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
GRIN2B Q13224 3/20 0.38
GRIN1 Q05586 1/20 0.38
SLC6A3 Q01959 6/20 0.37
DRD2 P14416 4/20 0.37
CYP2D6 P10635 3/20 0.37
KCNH2 Q12809 3/20 0.37
LNPEP Q9UIQ6 1/20 0.36
VNN1 O95497 1/20 0.35
PPARG P37231 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL17217618 1.00 SLC6A2 (0.40) SLC6A2SLC6A4PDE9APDE1APDE1B
SCHEMBL17217995 0.82 GRIN2B (0.38) SLC6A2SLC6A4PDE9APDE1APDE1B
SCHEMBL17217992 0.82 GRIN2B (0.38) SLC6A2SLC6A4PDE9APDE1APDE1B
SCHEMBL17216486 0.82 GRIN2B (0.40) SLC6A2SLC6A4GRIN2BGRIN1SLC6A3
SCHEMBL17216488 0.82 GRIN2B (0.40) SLC6A2SLC6A4GRIN2BGRIN1SLC6A3
SCHEMBL17218546 0.81 IDO1 (0.51) GRIN1
SCHEMBL17218544 0.81 IDO1 (0.51) GRIN1
SCHEMBL17216314 0.80 SLC6A3 (0.37) SLC6A2SLC6A4GRIN2BGRIN1SLC6A3
SCHEMBL17216313 0.80 SLC6A3 (0.37) SLC6A2SLC6A4GRIN2BGRIN1SLC6A3
SCHEMBL17218875 0.79 GRIN2B (0.40) SLC6A2SLC6A4GRIN2BGRIN1SLC6A3

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 SLC6A2 4776/4885SLC6A4 4321/4885PDE9A 3733/4885

“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.