SCHEMBL5124101

SCHEMBL5124101

COC(=O)C1(CN2CCC(COc3noc4cccc(O[C@H]5CC[C@@H](O)CC5)c34)CC2)CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 13/20 0.71
CYP3A4 P08684 1/20 0.58
ACHE P22303 1/20 0.36
LRRK2 Q5S007 1/20 0.34
CNR2 P34972 3/20 0.32
KCNH2 Q12809 2/20 0.31
HTR1D P28221 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 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
SCHEMBL5127088 1.00 HTR4 (0.71) HTR4CYP3A4ACHELRRK2CNR2
SCHEMBL5112825 0.95 HTR4 (0.75) HTR4CYP3A4ACHECNR2KCNH2
SCHEMBL5123132 0.94 HTR4 (0.64) HTR4CYP3A4ACHELRRK2CNR2
SCHEMBL5113204 0.94 HTR4 (0.69) HTR4CYP3A4ACHECNR2KCNH2
SCHEMBL5120911 0.92 HTR4 (0.65) HTR4CYP3A4ACHECNR2
SCHEMBL5120907 0.92 HTR4 (0.65) HTR4CYP3A4ACHECNR2
SCHEMBL5119811 0.92 HTR4 (0.74) HTR4CYP3A4ACHELRRK2CNR2
SCHEMBL5127741 0.92 HTR4 (0.74) HTR4CYP3A4ACHELRRK2CNR2
SCHEMBL5113308 0.91 HTR4 (0.72) HTR4CYP3A4ACHECNR2KCNH2
SCHEMBL5115965 0.90 HTR4 (0.71) HTR4CYP3A4ACHECNR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
EP-1856114-B1 BENZISOXAZOLE DERIVATIVES PFIZER (US) 2014-08-20 EP disclosed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US disclosed
EP-1856114-A1 BENZISOXAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-11-21 EP disclosed
WO-2006090224-A1 BENZISOXAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-08-31 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-20080207690-A1 Benzisoxazole Derivatives BRS3, MRGPRX4, HTR4 HTR4 3/4885CYP3A4 142/4885ACHE 170/4885

“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.