SCHEMBL23914926

SCHEMBL23914926

CC(C)(C)OC(=O)N1CC(n2nc(CC(=O)O)c3ccccc3c2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
NR2F2 P24468 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
AKR1B1 P15121 4/20 0.41
DTYMK P23919 1/20 0.41
S1PR2 O95136 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 1/20 0.40
USP30 Q70CQ3 1/20 0.39
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 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
SCHEMBL23909121 0.92 NPC1 (0.47) MAPTPOLBNPC1LMNANR2F2
SCHEMBL23915514 0.90 SMN1; SMN2 (0.48) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23914636 0.90 SMN1; SMN2 (0.50) MAPTPOLBNPC1LMNANR2F2
SCHEMBL23914947 0.83 MAPT (0.55) MAPTPOLBNPC1LMNANR2F2
SCHEMBL23908931 0.82 NPC1 (0.47) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23914934 0.80 LMNA (0.51) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23909085 0.79 MAPT (0.58) MAPTPOLBKMT2AAKR1B1S1PR2
SCHEMBL23966858 0.77 LMNA (0.46) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23914746 0.77 MAPT (0.56) MAPTPOLBLMNAHTTSMN1; SMN2
SCHEMBL23915516 0.77 MAPT (0.56) MAPTPOLBLMNAHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPT 4876/4885POLB 3606/4885NPC1 467/4885

“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.