SCHEMBL23915609

SCHEMBL23915609

CN1CCC(n2nc(Cc3nc4cc(OCC(F)F)c(C#N)cc4n3COCCS(C)(C)C)c3ccccc3c2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.36
HRH1 P35367 4/20 0.36
ADRA1B P35368 4/20 0.36
HRH3 Q9Y5N1 2/20 0.35
ADRA2A P08913 2/20 0.34
CHRM1 P11229 2/20 0.34
ADRA2B P18089 2/20 0.34
HTR2A P28223 2/20 0.34
DRD3 P35462 2/20 0.34
CHRM2 P08172 1/20 0.34
ABCB1 P08183 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP2D6 P10635 1/20 0.34
GABRA1 P14867 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL23915604 0.92 ADRA1A (0.37) ADRA1AHRH1ADRA1BHRH3ADRA2A
SCHEMBL23914615 0.91 S1PR2 (0.37) S1PR2
SCHEMBL23915442 0.89 S1PR2 (0.35) ABCB1S1PR2
SCHEMBL23914725 0.89 PGR (0.32) CYP3A4S1PR2
SCHEMBL23915420 0.87 S1PR2 (0.33) S1PR2
SCHEMBL23915196 0.86 S1PR2 (0.33) CYP3A4S1PR2
SCHEMBL23914613 0.83 S1PR2 (0.37) S1PR2
SCHEMBL23914724 0.82 S1PR2 (0.36) ADRA1AHRH1ADRA1BHRH3S1PR2
SCHEMBL23909084 0.82 S1PR2 (0.35) S1PR2
SCHEMBL23909091 0.82 BTK (0.34) S1PR2

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 ADRA1A 37/4885HRH1 385/4885ADRA1B 44/4885

“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.