SCHEMBL23914736

SCHEMBL23914736

CC(C)(C)OC(=O)N1CCCC1Cn1nc(CC(=O)O)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
HRH1 P35367 17/20 0.51
ADRA1A P35348 13/20 0.51
ADRA1B P35368 11/20 0.51
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 8/20 0.48
KCNH2 Q12809 1/20 0.46
AKR1B1 P15121 1/20 0.44

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
SCHEMBL23914742 0.91 HRH1 (0.51) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL2426526 0.84 HRH1 (0.69) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL2433319 0.84 HRH1 (0.69) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL27752421 0.84 HRH1 (0.69) HRH1ADRA1AADRA1BHRH3KCNH2
SCHEMBL23915439 0.84 MAPT (0.49) MAPTHRH1ADRA1AADRA1BKMT2A
SCHEMBL23913676 0.83 MAPT (0.53) MAPTHRH1ADRA1AADRA1BKMT2A
SCHEMBL23915443 0.82 MAPT (0.51) MAPTHRH1ADRA1AADRA1BKMT2A
SCHEMBL23914947 0.81 MAPT (0.55) MAPTKMT2AAKR1B1
SCHEMBL23915525 0.78 MAPT (0.48) MAPTKMT2AAKR1B1
SCHEMBL23915630 0.77 MAPT (0.54) MAPTKMT2AAKR1B1

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 4876/4885HRH1 385/4885ADRA1A 37/4885

“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.