SCHEMBL16296304

SCHEMBL16296304

CC1(C)CCN(C(=O)n2nnn(-c3cccc(OC(F)(F)F)c3)c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
PIM1 P11309 11/20 0.39
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CHRM4 P08173 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPY5R Q15761 1/20 0.37
MGLL Q99685 1/20 0.37
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
SLC5A1 P13866 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL16303974 0.85 NLRP3 (0.45) NOTUMPIM1RXRAGRIN1GRIN2B
SCHEMBL16297174 0.85 GABRD (0.40) NOTUMGABRDGABRA1GABRB2GABRA4
SCHEMBL16297261 0.83 MEN1 (0.41) MGLL
SCHEMBL16297115 0.82 PIM1 (0.53) NOTUMPIM1RXRAGRIN1GRIN2B
SCHEMBL16297298 0.81 AKR1C3 (0.48) PIM1RXRAGRIN1GRIN2BMGLL
SCHEMBL16297285 0.81 MEN1 (0.43) NOTUMPIM1RXRAGRIN1GRIN2B
SCHEMBL16296969 0.80 KMT2A (0.41) PIM1RXRAGRIN1GRIN2BCHRM4
SCHEMBL19118397 0.80 NOTUM (0.36) NOTUMPIM1RXRAGRIN1GRIN2B
SCHEMBL16297289 0.80 KDM4E (0.39) NOTUMPIM1RXRAGRIN1GRIN2B
SCHEMBL16296392 0.80 NOTUM (0.46) NOTUMPIM1RXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP claimed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US claimed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 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-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 NOTUM 3450/4885PIM1 2738/4885RXRA 595/4885

“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.