SCHEMBL18559631

SCHEMBL18559631

CC(C)(C)CCCCC(C)(C)c1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.54
▸ CNR1 P21554 4/20 0.54
▸ KIF11 P52732 2/20 0.41
▸ ENPP2 Q13822 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL19954823 0.87 CNR2 (0.61) CNR2CNR1KIF11DRD2DRD3
SCHEMBL19040922 0.83 CNR2 (0.53) CNR2CNR1KIF11ENPP2GLA
SCHEMBL18879528 0.82 CNR1 (0.49) CNR2CNR1KIF11ENPP2GLA
SCHEMBL3435209 0.80 CNR2 (0.46) CNR2CNR1KIF11ENPP2GLA
SCHEMBL4698316 0.78 CNR2 (0.45) CNR2CNR1KIF11ENPP2GLA
SCHEMBL13781503 0.77 GLA (0.44) CNR2CNR1GLANR3C1NR3C2
SCHEMBL23026418 0.75 KIF11 (0.44) CNR2CNR1KIF11ENPP2GLA
SCHEMBL4698814 0.75 KIF11 (0.42) CNR2CNR1KIF11ENPP2GLA
SCHEMBL22432052 0.75 KIF11 (0.46) CNR2CNR1KIF11ENPP2GLA
SCHEMBL179266 0.75 KIF11 (0.50) KIF11ENPP2GLAGRM2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329280-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-06-25 — — US disclosed
US-9580421-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-02-28 — — 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-10329280-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 CNR2 3573/4885CNR1 4170/4885KIF11 3183/4885

“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.

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