SCHEMBL5116922

SCHEMBL5116922

COC(=O)C1(CN2CCC(CNc3noc4cccc(OCC(F)(F)F)c34)CC2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.49
ACHE P22303 2/20 0.36
CYP3A4 P08684 1/20 0.36
BDKRB1 P46663 2/20 0.35
KCNA5 P22460 1/20 0.33
FAAH O00519 1/20 0.33
BCHE P06276 1/20 0.33
HCRTR2 O43614 1/20 0.33
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
THRB P10828 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL5119539 0.92 HTR4 (0.49) HTR4ACHECYP3A4KCNA5FAAH
SCHEMBL5119514 0.89 HTR4 (0.58) HTR4ACHECYP3A4KCNA5LRRK2
SCHEMBL5116042 0.87 HTR4 (0.66) HTR4ACHECYP3A4HCRTR2
SCHEMBL5116821 0.87 HTR4 (0.57) HTR4ACHECYP3A4HCRTR2
SCHEMBL15949618 0.87 HTR4 (0.49) HTR4ACHECYP3A4BDKRB1KCNA5
SCHEMBL5121280 0.82 HTR4 (0.59) HTR4ACHECYP3A4KCNA5
SCHEMBL5113423 0.81 HTR4 (0.59) HTR4ACHECYP3A4HCRTR2
SCHEMBL5119519 0.80 HTR4 (0.60) HTR4ACHECYP3A4
SCHEMBL21081780 0.79 HTR4 (0.63) HTR4ACHECYP3A4HCRTR2
SCHEMBL21081785 0.79 HTR4 (0.62) HTR4ACHECYP3A4HCRTR2

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 3/4885ACHE 170/4885CYP3A4 142/4885

“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.