SCHEMBL5113959

SCHEMBL5113959

c1cc(OC2CCOCC2)c2c(OCC3CCNCC3)noc2c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.65
CYP3A4 P08684 1/20 0.53
DHFR P00374 1/20 0.38
DCPS Q96C86 1/20 0.38

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
Hydrochloric Acid SCHEMBL5119613 0.99 HTR4 (0.64) HTR4CYP3A4
SCHEMBL617998 0.94 HTR4 (0.65) HTR4CYP3A4
SCHEMBL617997 0.94 HTR4 (0.65) HTR4CYP3A4
SCHEMBL5119590 0.91 HTR4 (0.66) HTR4CYP3A4
SCHEMBL5112365 0.88 HTR4 (0.58) HTR4CYP3A4
SCHEMBL5112359 0.88 HTR4 (0.58) HTR4CYP3A4
SCHEMBL5121498 0.88 HTR4 (0.58) HTR4CYP3A4
Hydrochloric Acid SCHEMBL5114140 0.88 HTR4 (0.57) HTR4CYP3A4
Hydrochloric Acid SCHEMBL5114138 0.88 HTR4 (0.57) HTR4CYP3A4
Hydrochloric Acid SCHEMBL5122713 0.85 HTR4 (0.63) 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 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 142/4885DHFR 1744/4885

“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.