SCHEMBL5120979

SCHEMBL5120979

CC(C)(C)OC(=O)N1CCC(COc2noc3cccc(O[C@H]4CC[C@H](O)C4)c23)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.61
CYP3A4 P08684 1/20 0.48
GPR119 Q8TDV5 6/20 0.40
CSF1R P07333 1/20 0.39
KDM1A O60341 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
SCHEMBL5120981 1.00 HTR4 (0.61) HTR4CYP3A4GPR119CSF1RKDM1A
SCHEMBL5113747 0.96 HTR4 (0.56) HTR4CYP3A4GPR119KDM1A
SCHEMBL5113220 0.89 HTR4 (0.63) HTR4CYP3A4GPR119CSF1RKDM1A
SCHEMBL5121865 0.89 HTR4 (0.53) HTR4CYP3A4GPR119CSF1RKDM1A
SCHEMBL5121863 0.89 HTR4 (0.53) HTR4CYP3A4GPR119CSF1RKDM1A
SCHEMBL5127872 0.88 HTR4 (0.67) HTR4CYP3A4
SCHEMBL5127869 0.88 HTR4 (0.67) HTR4CYP3A4
SCHEMBL619349 0.88 HTR4 (0.64) HTR4CYP3A4GPR119CSF1RKDM1A
SCHEMBL619350 0.88 HTR4 (0.64) HTR4CYP3A4GPR119CSF1RKDM1A
SCHEMBL5117314 0.86 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 142/4885GPR119 4/4885

“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.