SCHEMBL5119782

SCHEMBL5119782

CO[C@H]1CCC[C@@H]1Oc1cccc2onc(OCC3CCNCC3)c12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.54
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL5119788 1.00 HTR4 (0.54) HTR4CYP3A4TDP1ACHE
Hydrochloric Acid SCHEMBL5113473 0.99 HTR4 (0.53) HTR4CYP3A4TDP1ACHE
Hydrochloric Acid SCHEMBL5113477 0.99 HTR4 (0.53) HTR4CYP3A4TDP1ACHE
SCHEMBL5119890 0.88 HTR4 (0.52) HTR4CYP3A4ACHE
SCHEMBL5119885 0.88 HTR4 (0.52) HTR4CYP3A4ACHE
SCHEMBL5119894 0.88 HTR4 (0.52) HTR4CYP3A4ACHE
Hydrochloric Acid SCHEMBL5115960 0.87 HTR4 (0.51) HTR4CYP3A4TDP1ACHE
Hydrochloric Acid SCHEMBL5113395 0.87 HTR4 (0.51) HTR4CYP3A4TDP1ACHE
Hydrochloric Acid SCHEMBL5113388 0.87 HTR4 (0.51) HTR4CYP3A4TDP1ACHE
Hydrochloric Acid SCHEMBL5115956 0.87 HTR4 (0.51) HTR4CYP3A4TDP1ACHE

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 142/4885TDP1 3368/4885

“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.