SCHEMBL5387076

SCHEMBL5387076

OCCc1c[nH]c2ccc(Cl)c(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.47
GPR84 Q9NQS5 4/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A4 P31645 1/20 0.41
GPR17 Q13304 1/20 0.39
HTR2A P28223 5/20 0.37
HTR2B P41595 2/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1E P28566 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
NPC1 O15118 1/20 0.36
TRPM8 Q7Z2W7 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
SCHEMBL22154121 0.85 GPR84 (0.46) HTR2CGPR84SLC6A4GPR17HTR2A
SCHEMBL7854823 0.82 HTR2A (0.56) HTR2CGPR84CYP2D6HTR2AHTR2B
SCHEMBL4220443 0.81 GPR84 (0.69) HTR2CGPR84SLC6A4GPR17HTR2A
Hydrochloric Acid SCHEMBL7674197 0.81 HTR2A (0.54) HTR2CCYP2D6HTR2AHTR2BHTR1A
SCHEMBL9755961 0.76 ALDH1A1 (0.58) GPR84GPR17
SCHEMBL734758 0.74 GPR17 (0.68) HTR2CGPR84CYP2D6SLC6A4GPR17
SCHEMBL29441748 0.71 HTR2C (0.73) HTR2CGPR84HTR2AHTR2BHTR1A
SCHEMBL19799203 0.71 HTR2C (0.73) HTR2CGPR84HTR2AHTR2BHTR1A
SCHEMBL3964357 0.71 GPR84 (0.71) HTR2CGPR84SLC6A4HTR2AHTR2B
SCHEMBL9756250 0.71 NR4A2 (0.43) GPR84CYP2D6SLC6A4HTR2B

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 HTR2C 167/4885GPR84 2156/4885CYP2D6 49/4885

“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.