SCHEMBL9893012

SCHEMBL9893012

CC(C)C(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ PTGS1 P23219 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ GAA P10253 2/20 0.53
▸ DEGS1 O15121 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ TP53 P04637 2/20 0.49
▸ IDO1 P14902 1/20 0.48
▸ NPY5R Q15761 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ XPO1 O14980 1/20 0.47

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
SCHEMBL9906892 0.82 RAB9A (0.61) RAB9ANPC1PTGS1GAADEGS1
SCHEMBL28211225 0.81 RAB9A (0.53) RAB9ANPC1PTGS1SMN1; SMN2GAA
SCHEMBL20964573 0.80 PRKAB2 (0.57) RAB9ANPC1PTGS1SMN1; SMN2GAA
SCHEMBL3620154 0.80 RAB9A (0.68) RAB9ANPC1PTGS1SMN1; SMN2GAA
SCHEMBL3928750 0.79 RAB9A (0.58) RAB9ANPC1PTGS1SMN1; SMN2GAA
SCHEMBL1464623 0.79 GAA (0.49) RAB9ANPC1PTGS1GAADEGS1
SCHEMBL19699480 0.79 FFAR2 (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5036428 0.79 PTGS1 (0.66) RAB9ANPC1PTGS1GAADEGS1
SCHEMBL2255178 0.79 RAB9A (0.51) RAB9ANPC1PTGS1GAADEGS1
SCHEMBL27350716 0.78 RAB9A (0.57) RAB9ANPC1PTGS1SMN1; SMN2GAA

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-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 — — US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 — — 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 (2 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-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL RAB9A 3648/4885NPC1 4014/4885PTGS1 3690/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 RAB9A 2299/4885NPC1 1904/4885PTGS1 175/4885

“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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