SCHEMBL5121865

SCHEMBL5121865

CC(=O)OCC1CCC(Oc2cccc3onc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c23)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.53
CYP3A4 P08684 1/20 0.44
KDM1A O60341 1/20 0.40
GPR119 Q8TDV5 6/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL5121863 1.00 HTR4 (0.53) HTR4CYP3A4KDM1AGPR119CSF1R
SCHEMBL5113747 0.91 HTR4 (0.56) HTR4CYP3A4KDM1AGPR119
SCHEMBL5113220 0.89 HTR4 (0.63) HTR4CYP3A4KDM1AGPR119CSF1R
SCHEMBL5121739 0.89 HTR4 (0.57) HTR4CYP3A4
SCHEMBL5121735 0.89 HTR4 (0.57) HTR4CYP3A4
SCHEMBL5120979 0.89 HTR4 (0.61) HTR4CYP3A4KDM1AGPR119CSF1R
SCHEMBL5120981 0.89 HTR4 (0.61) HTR4CYP3A4KDM1AGPR119CSF1R
SCHEMBL619350 0.86 HTR4 (0.64) HTR4CYP3A4KDM1AGPR119CSF1R
SCHEMBL619349 0.86 HTR4 (0.64) HTR4CYP3A4KDM1AGPR119CSF1R
SCHEMBL5117314 0.85 HTR4 (0.62) HTR4CYP3A4GPR119CSF1R

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 3 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

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 142/4885KDM1A 3820/4885

“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.