SCHEMBL5113364

SCHEMBL5113364

COC1CCCC1Oc1cccc2onc(OCC3CCN(C(=O)O)CC3)c12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.56
CYP3A4 P08684 1/20 0.43
ACHE P22303 1/20 0.40
RBP4 P02753 2/20 0.35
RAB9A P51151 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
SCHEMBL5120831 1.00 HTR4 (0.56) HTR4CYP3A4ACHERBP4RAB9A
SCHEMBL5120835 1.00 HTR4 (0.56) HTR4CYP3A4ACHERBP4RAB9A
SCHEMBL5113357 1.00 HTR4 (0.56) HTR4CYP3A4ACHERBP4RAB9A
SCHEMBL5113360 1.00 HTR4 (0.56) HTR4CYP3A4ACHERBP4RAB9A
SCHEMBL5120540 0.90 HTR4 (0.54) HTR4CYP3A4ACHERBP4
SCHEMBL5126773 0.90 HTR4 (0.54) HTR4CYP3A4ACHERBP4
SCHEMBL5120539 0.90 HTR4 (0.54) HTR4CYP3A4ACHERBP4
SCHEMBL5126768 0.90 HTR4 (0.54) HTR4CYP3A4ACHERBP4
SCHEMBL5126762 0.90 HTR4 (0.54) HTR4CYP3A4ACHERBP4
SCHEMBL5113976 0.89 HTR4 (0.52) HTR4CYP3A4

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 142/4885ACHE 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.