SCHEMBL5116058

SCHEMBL5116058

COC(=O)C1(CN2CCC(COc3noc4cccc(OCC5(CO)CCC5)c34)CC2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.53
CYP3A4 P08684 1/20 0.46
ACHE P22303 1/20 0.37
CNR2 P34972 5/20 0.35
KDM1A O60341 1/20 0.33
HTR1D P28221 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 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
SCHEMBL5113236 0.96 HTR4 (0.58) HTR4CYP3A4ACHECNR2
SCHEMBL5121039 0.94 HTR4 (0.58) HTR4CYP3A4ACHECNR2
SCHEMBL5127177 0.91 HTR4 (0.53) HTR4CYP3A4ACHECNR2KDM1A
SCHEMBL5112710 0.91 HTR4 (0.53) HTR4CYP3A4ACHECNR2KDM1A
SCHEMBL5113958 0.90 HTR4 (0.63) HTR4CYP3A4ACHECNR2HTR1D
SCHEMBL5116197 0.89 HTR4 (0.63) HTR4CYP3A4ACHECNR2HTR1D
SCHEMBL5116112 0.88 HTR4 (0.69) HTR4CYP3A4ACHECNR2KDM1A
SCHEMBL5126439 0.87 HTR4 (0.58) HTR4CYP3A4ACHECNR2KDM1A
SCHEMBL5113423 0.87 HTR4 (0.59) HTR4CYP3A4ACHECNR2HTR1D
SCHEMBL5119786 0.86 HTR4 (0.69) HTR4CYP3A4ACHECNR2HTR1D

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.