SCHEMBL5115786

SCHEMBL5115786

O=C(O)N1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.68
CYP3A4 P08684 1/20 0.50
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
DCPS Q96C86 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL5127110 0.92 HTR4 (0.61) HTR4CYP3A4ACHENPC1RAB9A
SCHEMBL5121843 0.92 HTR4 (0.69) HTR4CYP3A4ACHEDCPS
SCHEMBL5116886 0.91 HTR4 (0.63) HTR4CYP3A4ACHEDCPS
SCHEMBL5127872 0.90 HTR4 (0.67) HTR4CYP3A4ACHENPC1RAB9A
SCHEMBL5127869 0.90 HTR4 (0.67) HTR4CYP3A4ACHENPC1RAB9A
SCHEMBL5121735 0.89 HTR4 (0.57) HTR4CYP3A4ACHENPC1RAB9A
SCHEMBL5121739 0.89 HTR4 (0.57) HTR4CYP3A4ACHENPC1RAB9A
SCHEMBL5117873 0.89 HTR4 (0.66) HTR4CYP3A4ACHEDCPS
SCHEMBL5127914 0.89 HTR4 (0.54) HTR4CYP3A4ACHEDCPSCNR2
SCHEMBL5123092 0.89 HTR4 (0.54) HTR4CYP3A4ACHEDCPSCNR2

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 142/4885ACHE 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.