SCHEMBL21711088

SCHEMBL21711088

CCCc1cnc(C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ TP53 P04637 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ THPO P40225 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
SCHEMBL10314500 0.86 PTGS2 (0.42) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL10310085 0.82 NOS3 (0.38) CYP2A6KDM4ENOS2L3MBTL1
SCHEMBL14383876 0.81 KDM4E (0.35) CYP2A6HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL22961170 0.79 NOS3 (0.37) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL26527648 0.79 NPC1 (0.43) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL24666096 0.76 FFAR1 (0.39) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL21503558 0.76 NPC1 (0.35) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL17253973 0.76 FFAR1 (0.36) NPC1RAB9ATP53SMN1; SMN2PKM
SCHEMBL1145964 0.76 ALDH1A1 (0.38) CYP2A6SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL336161 0.76 SHBG (0.41) CYP2A6HSD17B10KDM4EMEN1ALDH1A1

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-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 — — 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-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CYP2A6 4192/4885NPC1 1281/4885RAB9A 2809/4885

“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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