SCHEMBL23914714

SCHEMBL23914714

CC(C)(C)OC(=O)N1CCC(n2nc(Cc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c3ccccc3c2=O)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.60
ADRA1A P35348 3/20 0.38
HRH1 P35367 3/20 0.38
ADRA1B P35368 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TNF P01375 2/20 0.37
LITAF Q99732 2/20 0.37
CHRM2 P08172 1/20 0.36
ABCB1 P08183 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
GABRA1 P14867 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL23966544 0.96 S1PR2 (0.62) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23915580 0.90 S1PR2 (0.52) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23914710 0.88 S1PR2 (0.65) S1PR2ADRA1AHRH1ADRA1BPARP1
SCHEMBL23915479 0.86 S1PR2 (0.67) S1PR2ADRA1AHRH1ADRA1B
SCHEMBL23914717 0.86 S1PR2 (0.66) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23915475 0.85 S1PR2 (0.63) S1PR2ADRA1AHRH1ADRA1BCYP2D6
SCHEMBL23914711 0.85 S1PR2 (0.68) S1PR2ADRA1AHRH1ADRA1B
SCHEMBL23908762 0.84 S1PR2 (0.66) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23908806 0.83 S1PR2 (0.64) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23908864 0.82 S1PR2 (0.65) S1PR2ADRA1AHRH1ADRA1BHRH3

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 S1PR2 3/4885ADRA1A 37/4885HRH1 385/4885

“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.