SCHEMBL5387311

SCHEMBL5387311

OCCc1c[nH]c2c(F)ccc(Br)c12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
MPO P05164 7/20 0.37
SLC6A4 P31645 5/20 0.37
GPR84 Q9NQS5 2/20 0.37
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL21600577 0.87 HTR1A (0.43) HTR1AMPOSLC6A4GPR84
SCHEMBL5389368 0.81 HTR2A (0.36) HTR1AGPR84HTR2CHTR2ACYP2D6
SCHEMBL5398443 0.77 HTR1A (0.42) HTR1AMPOSLC6A4GPR84HTR2C
SCHEMBL1164344 0.77 HTR1A (0.48) HTR1AMPOSLC6A4GPR84HTR2A
SCHEMBL5392766 0.76 HTR1A (0.38) HTR1AMPOSLC6A4GPR84
SCHEMBL25885809 0.71 HTR1A (0.62) HTR1AMPOSLC6A4GPR84HTR2C
SCHEMBL19216724 0.70 HTR1A (0.36) HTR1AGPR84
SCHEMBL20576934 0.70 ALDH1A1 (0.35) HTR1AGPR84
SCHEMBL31730633 0.70 HTR2A (0.59) HTR1AMPOSLC6A4GPR84HTR2C
SCHEMBL2537704 0.70 HTR2A (0.59) HTR1AMPOSLC6A4GPR84HTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217730-B2 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2007-05-15 US disclosed
EP-1509225-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2005-03-02 EP disclosed
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 US disclosed
WO-2003099275-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2003-12-04 WO 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-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus HAVCR2, HCCS, ZC3HAV1 HTR1A 347/4885MPO 1741/4885SLC6A4 3027/4885

“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.