SCHEMBL5122071

SCHEMBL5122071

CC(C)COc1cccc2onc(OCC3CCN(CC4(C(=O)O)CCC4)CC3)c12

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.71
CYP3A4 P08684 1/20 0.48
ACHE P22303 1/20 0.41
KDM1A O60341 2/20 0.37
CCR8 P51685 1/20 0.34
KCNH2 Q12809 1/20 0.34
ARG1 P05089 2/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL5112375 0.98 HTR4 (0.71) HTR4CYP3A4ACHEKDM1ACCR8
SCHEMBL5112304 0.94 HTR4 (0.79) HTR4CYP3A4ACHEKDM1ACCR8
SCHEMBL5116112 0.92 HTR4 (0.69) HTR4CYP3A4ACHEKDM1ACCR8
SCHEMBL5127825 0.91 HTR4 (0.63) HTR4CYP3A4ACHEKDM1AARG1
SCHEMBL5119786 0.90 HTR4 (0.69) HTR4CYP3A4ACHECCR8KCNH2
SCHEMBL5121617 0.89 HTR4 (0.63) HTR4CYP3A4ACHEKDM1AARG1
SCHEMBL5126800 0.87 HTR4 (0.59) HTR4CYP3A4ACHEKDM1AARG1
SCHEMBL5127177 0.86 HTR4 (0.53) HTR4CYP3A4ACHEKDM1AARG1
SCHEMBL5112331 0.86 HTR4 (0.72) HTR4CYP3A4ACHEKCNH2CNR2
SCHEMBL5113306 0.86 HTR4 (0.68) HTR4CYP3A4ACHECCR8KCNH2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US claimed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US claimed
EP-1856114-A1 BENZISOXAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-11-21 EP claimed
WO-2006090224-A1 BENZISOXAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-08-31 WO claimed
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
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
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
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US 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
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.