SCHEMBL29784182

SCHEMBL29784182

O=C(O)c1cccc(-c2ccccc2OC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.56
CYP2C9 P11712 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
PTGER1 P34995 1/20 0.54
KMO O15229 1/20 0.51
FFAR1 O14842 1/20 0.51
PDK2 Q15119 1/20 0.50

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
SCHEMBL1400067 1.00 SCN9A (0.56) SCN9ACYP2C9CYP3A4CYP2D6PTGER1
SCHEMBL1400209 0.87 SCN9A (0.65) SCN9ACYP2C9CYP3A4CYP2D6PDK2
SCHEMBL4507814 0.87 SCN9A (0.55) SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL1400086 0.83 SCN9A (0.57) SCN9ACYP2C9CYP3A4CYP2D6FFAR1
SCHEMBL4754489 0.83 SCN9A (0.52) SCN9ACYP2C9CYP3A4CYP2D6FFAR1
SCHEMBL536004 0.83 FFAR4 (0.59) PDK2
SCHEMBL536003 0.82 RXRA (0.50) PDK2
SCHEMBL21942059 0.82 SYK (0.56) PDK2
SCHEMBL14089991 0.82 RXRA (0.54) PTGER1PDK2
SCHEMBL1400239 0.81 SCN9A (0.58) SCN9ACYP2C9CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 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 (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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG SCN9A 2056/4885CYP2C9 2951/4885CYP3A4 3556/4885

“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.