SCHEMBL5117300

SCHEMBL5117300

COC(=O)C1(CN2CCC(CCOc3noc4cccc(OCc5ccccc5)c34)CC2)CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.52
CYP3A4 P08684 1/20 0.41
CNR2 P34972 2/20 0.40
ACHE P22303 2/20 0.37
CNR1 P21554 1/20 0.37
CHRM4 P08173 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EDNRA P25101 1/20 0.35

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
SCHEMBL5115582 0.89 HTR4 (0.66) HTR4CYP3A4ACHE
SCHEMBL5116821 0.89 HTR4 (0.57) HTR4CYP3A4ACHE
SCHEMBL5120735 0.88 HTR4 (0.50) HTR4CYP3A4CNR2ACHECNR1
SCHEMBL5121194 0.87 HTR4 (0.46) HTR4CYP3A4CNR2ACHECNR1
SCHEMBL5124075 0.83 HTR4 (0.64) HTR4CYP3A4ACHE
SCHEMBL5115754 0.83 HTR4 (0.64) HTR4CYP3A4CNR2ACHE
SCHEMBL5113306 0.83 HTR4 (0.68) HTR4CYP3A4ACHE
SCHEMBL5116042 0.82 HTR4 (0.66) HTR4CYP3A4CNR2ACHECNR1
SCHEMBL5126944 0.82 HTR4 (0.57) HTR4CYP3A4ACHE
SCHEMBL5117848 0.81 HTR4 (0.77) HTR4CYP3A4CNR2ACHE

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 142/4885CNR2 127/4885

“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.