SCHEMBL6804867

SCHEMBL6804867

CC(=O)OCc1c(C)n(CC2C[C@@H]2C)c2c(OCc3ccc(F)cc3)nncc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
CNR1 P21554 9/20 0.33
CNR2 P34972 9/20 0.33
ABHD6 Q9BV23 1/20 0.33
TRPC6 Q9Y210 2/20 0.32
ACACB O00763 2/20 0.32
S1PR5 Q9H228 1/20 0.32
MAOB P27338 1/20 0.31
ABHD12 Q8N2K0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ALKBH1 Q13686 1/20 0.30

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
SCHEMBL5240518 1.00 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5240067 1.00 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5239207 0.88 CYP2C9 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5241120 0.88 CYP1A2 (0.79) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5239797 0.88 CYP1A2 (0.79) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4591003 0.88 CYP1A2 (0.79) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6917471 0.86 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5240432 0.85 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5240422 0.85 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2688495 0.84 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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
US-6734181-B2 GASTRIC ACID SECRETORY INHIBITION ACTIVITY, GASTRIC MUCOUS MEMBRANE PROTECTION ACTIVITY; TREATMENT OF ULCERS AND HELICOBACTER PYLORI INFECIONS SANKYO COMPANY, LIMITED (JP) 2004-05-11 US claimed
US-20040014762-A1 Pyrrolopyridazine compounds SANKYO COMPANY, LIMITED (JP) 2004-01-22 US claimed

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-20040014762-A1 Pyrrolopyridazine compounds HRH2, ADH1C, GIPR CYP1A2 1171/4885CYP3A4 1480/4885CYP2D6 234/4885

“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.