SCHEMBL2405220

SCHEMBL2405220

Cc1ncc(-c2ccc(C)c(C)c2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.62
▸ CA2 P00918 6/20 0.62
▸ CA9 Q16790 6/20 0.62
▸ CA1 P00915 5/20 0.62
▸ LRRK2 Q5S007 1/20 0.46
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NOTUM Q6P988 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL8281254 0.84 CA12 (0.54) CA12CA2CA9CA1LRRK2
SCHEMBL17790966 0.78 CA12 (0.57) CA12CA2CA9CA1LRRK2
SCHEMBL9284900 0.78 CA12 (0.61) CA12CA2CA9CA1LRRK2
SCHEMBL10907109 0.78 ALOX15 (0.69) LMNAMAPTTP53NPC1HDAC4
SCHEMBL12266930 0.76 FLT1 (0.51) CA12CA2CA9CA1LRRK2
SCHEMBL10263007 0.74 CA12 (0.57) CA12CA2CA9CA1LRRK2
SCHEMBL1360325 0.74 CA12 (0.62) CA12CA2CA9CA1LRRK2
SCHEMBL7902821 0.74 CA12 (0.57) CA12CA2CA9CA1LRRK2
SCHEMBL1169513 0.74 CA12 (0.57) CA12CA2CA9CA1LRRK2
SCHEMBL5586085 0.74 ALOX15 (0.60) CA12CA2CA9CA1LRRK2

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 — — 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 CA12 3489/4885CA2 985/4885CA9 4163/4885

“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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