SCHEMBL23914612

SCHEMBL23914612

CCOC(=O)CN1CCCC1Cn1nc(Cc2nc3cc(OCC(F)F)c(C#N)cc3n2COCC[Si](C)(C)C)c2ccccc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 0.36
ADRA1A P35348 15/20 0.36
KCNH2 Q12809 15/20 0.36
ADRA1B P35368 13/20 0.36
S1PR2 O95136 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
CYP2D6 P10635 2/20 0.35
HRH2 P25021 2/20 0.35
HTR2B P41595 2/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23914614 0.94 HRH1 (0.36) HRH1ADRA1AKCNH2ADRA1BS1PR2
SCHEMBL23913182 0.93 S1PR2 (0.41) HRH1ADRA1AKCNH2ADRA1BS1PR2
SCHEMBL23908919 0.86 S1PR2 (0.35) HRH1ADRA1AKCNH2ADRA1BS1PR2
SCHEMBL23914723 0.86 PGR (0.33) S1PR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL23908980 0.85 S1PR2 (0.34) S1PR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL23914722 0.83 S1PR2 (0.36) HRH1ADRA1AADRA1BS1PR2HRH3
SCHEMBL23915620 0.83 S1PR2 (0.41) S1PR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL23966578 0.80 S1PR2 (0.44) HRH1ADRA1AKCNH2ADRA1BS1PR2
SCHEMBL23914726 0.79 S1PR2 (0.35) KCNH2S1PR2
SCHEMBL23909084 0.79 S1PR2 (0.35) 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 HRH1 385/4885ADRA1A 37/4885KCNH2 1865/4885

“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.