SCHEMBL5113958

SCHEMBL5113958

COC(=O)C1(CN2CCC(COc3noc4cccc(OCC5CCC5)c34)CC2)CCC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.63
CYP3A4 P08684 1/20 0.49
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.36
DCPS Q96C86 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL5116197 0.98 HTR4 (0.63) HTR4CYP3A4ACHECNR2DCPS
SCHEMBL5115754 0.94 HTR4 (0.64) HTR4CYP3A4ACHECNR2DCPS
SCHEMBL5124075 0.93 HTR4 (0.64) HTR4CYP3A4ACHE
SCHEMBL5116112 0.92 HTR4 (0.69) HTR4CYP3A4ACHECNR2DCPS
SCHEMBL5113423 0.91 HTR4 (0.59) HTR4CYP3A4ACHECNR2DCPS
SCHEMBL5127825 0.91 HTR4 (0.63) HTR4CYP3A4ACHEDCPS
SCHEMBL5116058 0.90 HTR4 (0.53) HTR4CYP3A4ACHECNR2HTR1D
SCHEMBL5119786 0.90 HTR4 (0.69) HTR4CYP3A4ACHECNR2DCPS
SCHEMBL5120903 0.90 HTR4 (0.54) HTR4CYP3A4ACHECNR2DCPS
SCHEMBL5120900 0.90 HTR4 (0.54) HTR4CYP3A4ACHECNR2DCPS

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.