SCHEMBL5126944

SCHEMBL5126944

O=C(O)C1(CN2CCC(CCOc3noc4cccc(OCC(F)(F)F)c34)CC2)CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.57
CYP3A4 P08684 1/20 0.43
HCRTR2 O43614 1/20 0.34
ARG1 P05089 3/20 0.34
ACHE P22303 2/20 0.33
S1PR5 Q9H228 1/20 0.32
CTSS P25774 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
FAAH O00519 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL5114319 0.93 HTR4 (0.66) HTR4CYP3A4HCRTR2ARG1ACHE
Bromide SCHEMBL17275534 0.92 HTR4 (0.65) HTR4CYP3A4HCRTR2ARG1ACHE
SCHEMBL17275535 0.92 HTR4 (0.65) HTR4CYP3A4HCRTR2ARG1ACHE
SCHEMBL17275540 0.92 HTR4 (0.65) HTR4CYP3A4HCRTR2ARG1ACHE
SCHEMBL17275529 0.92 HTR4 (0.65) HTR4CYP3A4HCRTR2ARG1ACHE
Hydrochloric Acid SCHEMBL17275530 0.92 HTR4 (0.65) HTR4CYP3A4HCRTR2ARG1ACHE
SCHEMBL5116821 0.92 HTR4 (0.57) HTR4CYP3A4HCRTR2ACHECTSS
Phosphoric Acid SCHEMBL17275537 0.91 HTR4 (0.64) HTR4CYP3A4HCRTR2ARG1ACHE
Sulfuric Acid SCHEMBL17275528 0.90 HTR4 (0.63) HTR4CYP3A4HCRTR2ARG1ACHE
SCHEMBL15949514 0.89 HTR4 (0.57) HTR4CYP3A4HCRTR2ACHES1PR5

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US claimed
EP-1856114-B1 BENZISOXAZOLE DERIVATIVES PFIZER (US) 2014-08-20 EP claimed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US claimed
EP-1856114-A1 BENZISOXAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-11-21 EP claimed
WO-2006090224-A1 BENZISOXAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-08-31 WO claimed
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
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
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
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US 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
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 142/4885HCRTR2 149/4885

“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.