SCHEMBL23915439

SCHEMBL23915439

CC(C)(C)OC(=O)N1CCCC(Cn2nc(CC(=O)O)c3ccccc3c2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
FEN1 P39748 1/20 0.47
ACKR3 P25106 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH1 P35367 6/20 0.46
HRH3 Q9Y5N1 2/20 0.46
GPR39 O43194 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
NR2F2 P24468 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
HTR6 P50406 5/20 0.44
BCHE P06276 3/20 0.44
KDM1A O60341 1/20 0.44
AKR1B1 P15121 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
SCHEMBL23915443 0.94 MAPT (0.51) MAPTKMT2AHRH1GPR39NPC1
SCHEMBL23913179 0.91 HRH1 (0.47) FEN1ACKR3HRH1HRH3GPR39
SCHEMBL23914947 0.91 MAPT (0.55) MAPTKMT2ANPC1LMNANR2F2
SCHEMBL23913676 0.89 MAPT (0.53) MAPTKMT2AHRH1GPR39NPC1
SCHEMBL23915513 0.85 NPC1 (0.46) MAPTACKR3KMT2AHRH1HRH3
SCHEMBL23914736 0.84 MAPT (0.52) MAPTKMT2AHRH1HRH3ADRA1A
SCHEMBL23915438 0.83 MAPT (0.58) MAPTKMT2AHRH1HRH3GPR39
SCHEMBL23915525 0.83 MAPT (0.48) MAPTKMT2ANPC1LMNANR2F2
SCHEMBL23915623 0.81 RECQL (0.47) MAPTKMT2AHRH1GPR39NPC1
SCHEMBL23913685 0.80 MAPT (0.64) MAPTKMT2AHRH1HRH3GPR39

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 4876/4885FEN1 3306/4885ACKR3 189/4885

“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.