SCHEMBL23573490

SCHEMBL23573490

O=C(O)NC1CCC(NC(=O)Nc2ccc(F)cc2F)CC1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.77
▸ RAB9A P51151 4/20 0.77
▸ POLB P06746 1/20 0.77
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ GAA P10253 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HTT P42858 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ EPHX2 P34913 3/20 0.52
▸ PAK1 Q13153 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ ADRA1D P25100 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ ADRA1B P35368 1/20 0.51
▸ DGAT1 O75907 1/20 0.48

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
SCHEMBL23573491 1.00 NPC1 (0.77) NPC1RAB9APOLBL3MBTL1SMN1; SMN2
SCHEMBL16866144 0.94 NPC1 (0.86) NPC1RAB9APOLBL3MBTL1SMN1; SMN2
SCHEMBL2750640 0.88 RAB9A (0.97) NPC1RAB9APOLBL3MBTL1SMN1; SMN2
SCHEMBL27264917 0.87 RAB9A (1.00) NPC1RAB9APOLBL3MBTL1SMN1; SMN2
SCHEMBL27267057 0.87 RAB9A (1.00) NPC1RAB9APOLBL3MBTL1SMN1; SMN2
SCHEMBL9273863 0.84 NPC1 (0.70) NPC1RAB9APOLBL3MBTL1SMN1; SMN2
SCHEMBL4983290 0.82 L3MBTL1 (0.76) NPC1RAB9APOLBL3MBTL1SMN1; SMN2
SCHEMBL23573529 0.81 OPRM1 (0.63) NPC1RAB9APOLBL3MBTL1SMN1; SMN2
SCHEMBL9269081 0.81 RAB9A (0.65) NPC1RAB9APOLBL3MBTL1SMN1; SMN2
SCHEMBL25464492 0.80 RAB9A (0.64) NPC1RAB9APOLBL3MBTL1SMN1; SMN2

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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 — — 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 NPC1 1512/4885RAB9A 2930/4885POLB 1763/4885

“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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