SCHEMBL23914934

SCHEMBL23914934

COC(=O)Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
NR2F2 P24468 1/20 0.51
HTT P42858 1/20 0.51
S1PR2 O95136 1/20 0.44
ADRA1A P35348 3/20 0.44
HRH1 P35367 3/20 0.44
ADRA1B P35368 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
DTYMK P23919 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42

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
SCHEMBL23908931 0.94 NPC1 (0.47) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL23914636 0.90 SMN1; SMN2 (0.50) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL23915514 0.90 SMN1; SMN2 (0.48) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL23966858 0.86 LMNA (0.46) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL23915515 0.85 NPC1 (0.49) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL23909121 0.84 NPC1 (0.47) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL23915509 0.83 SMN1; SMN2 (0.52) LMNASMN1; SMN2HTTS1PR2ADRA1A
SCHEMBL2995095 0.82 ADRA1A (0.69) LMNASMN1; SMN2ADRA1AHRH1ADRA1B
SCHEMBL23915513 0.81 NPC1 (0.46) LMNASMN1; SMN2NPC1NR2F2HTT
SCHEMBL23914926 0.80 MAPT (0.48) LMNASMN1; SMN2NPC1NR2F2HTT

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-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 LMNA 449/4885SMN1; SMN2 2920/4885NPC1 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.