SCHEMBL22480002

SCHEMBL22480002

OC1CN(c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.44
SLC6A4 P31645 3/20 0.43
LIPE Q05469 3/20 0.43
CCR6 P51684 1/20 0.42
KCNH2 Q12809 1/20 0.42
PPARD Q03181 1/20 0.41
ABL1 P00519 2/20 0.41
CACNA1B Q00975 1/20 0.41
SLC6A3 Q01959 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CHRM4 P08173 1/20 0.40
NOTUM Q6P988 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL22815763 0.87 NOTUM (0.48) LIPEKCNH2ABL1FFAR4CHRM4
SCHEMBL14636981 0.84 ABL1 (0.47) KCNA5LIPEABL1NOTUMEPHX2
SCHEMBL1244796 0.83 FFAR4 (0.50) KCNA5SLC6A4LIPESLC6A3FFAR4
SCHEMBL22042168 0.81 EPHX2 (0.48) ABL1CACNA1BCHRM4EPHX2
SCHEMBL1471204 0.79 PPARD (0.42) KCNA5LIPECCR6KCNH2PPARD
SCHEMBL1471203 0.79 PPARD (0.42) KCNA5LIPECCR6KCNH2PPARD
SCHEMBL25390074 0.78 BPTF (0.54) KCNA5SLC6A4LIPECACNA1B
SCHEMBL13858855 0.78 BPTF (0.54) KCNA5SLC6A4LIPECACNA1B
SCHEMBL19733783 0.78 CASR (0.46) KCNA5LIPECCR6KCNH2PPARD
SCHEMBL1471142 0.78 POLB (0.42) KCNA5LIPECCR6KCNH2PPARD

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-20200308169-A1 HETEROCYCLIC COMPOUNDS AS ANTIBACTERIALS Janssen Sciences Ireland Unlimited Company (IE) 2020-10-01 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-20200308169-A1 HETEROCYCLIC COMPOUNDS AS ANTIBACTERIALS SQOR, NQO1, NDUFS3 KCNA5 3118/4885SLC6A4 4044/4885LIPE 4034/4885

“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.