SCHEMBL5116821

SCHEMBL5116821

COC(=O)C1(CN2CCC(CCOc3noc4cccc(OCC(F)(F)F)c34)CC2)CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.57
CYP3A4 P08684 1/20 0.41
HCRTR2 O43614 1/20 0.34
DRD3 P35462 3/20 0.32
ACHE P22303 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
CTSS P25774 1/20 0.32
MRGPRX1 Q96LB2 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
SCHEMBL5116042 0.93 HTR4 (0.66) HTR4CYP3A4HCRTR2ACHE
SCHEMBL5126944 0.92 HTR4 (0.57) HTR4CYP3A4HCRTR2ACHECTSS
SCHEMBL5115582 0.90 HTR4 (0.66) HTR4CYP3A4ACHE
SCHEMBL5117300 0.89 HTR4 (0.52) HTR4CYP3A4ACHE
SCHEMBL5120735 0.88 HTR4 (0.50) HTR4CYP3A4ACHE
SCHEMBL5113423 0.87 HTR4 (0.59) HTR4CYP3A4HCRTR2ACHEDRD4
SCHEMBL5116922 0.87 HTR4 (0.49) HTR4CYP3A4HCRTR2ACHE
SCHEMBL5119519 0.86 HTR4 (0.60) HTR4CYP3A4DRD3ACHEDRD2
SCHEMBL15949514 0.86 HTR4 (0.57) HTR4CYP3A4HCRTR2ACHECTSS
SCHEMBL21081780 0.85 HTR4 (0.63) HTR4CYP3A4HCRTR2ACHEMRGPRX1

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 142/4885HCRTR2 149/4885

“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.