SCHEMBL23915513

SCHEMBL23915513

COC(=O)Cc1nn(CC2CCN(C(=O)OC(C)(C)C)C2)c(=O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
NR2F2 P24468 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH1 P35367 3/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
GPR39 O43194 1/20 0.43
MERTK Q12866 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
USP7 Q93009 1/20 0.41
DTYMK P23919 1/20 0.40

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
SCHEMBL23913179 0.95 HRH1 (0.47) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23915515 0.94 NPC1 (0.49) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23915623 0.93 RECQL (0.47) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23915443 0.91 MAPT (0.51) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23966559 0.86 GPR39 (0.50) SMN1; SMN2HRH1ADRA1AADRA1BRECQL
SCHEMBL23915439 0.85 MAPT (0.49) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23915616 0.85 NPC1 (0.44) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23913676 0.85 MAPT (0.53) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23908931 0.83 NPC1 (0.47) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23914889 0.82 RECQL (0.56) LMNAHTTSMN1; SMN2HRH1ADRA1A

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 NPC1 467/4885LMNA 449/4885NR2F2 2181/4885

“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.