SCHEMBL5364879

SCHEMBL5364879

O[C@H](COc1ccc(-c2noc3cc(F)ccc23)cc1)CN1CCC(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.59
DRD2 P14416 2/20 0.59
HTR1A P08908 1/20 0.59
CHRNA7 P36544 1/20 0.48
TSHR P16473 1/20 0.48
KCNH2 Q12809 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL5359817 1.00 HTR2A (0.59) HTR2ADRD2HTR1ACHRNA7TSHR
SCHEMBL5359826 1.00 HTR2A (0.59) HTR2ADRD2HTR1ACHRNA7TSHR
SCHEMBL5359089 0.95 HTR2A (0.61) HTR2ADRD2HTR1ATSHR
SCHEMBL5375200 0.95 HTR2A (0.61) HTR2ADRD2HTR1ATSHR
SCHEMBL5359086 0.95 HTR2A (0.61) HTR2ADRD2HTR1ATSHR
Hydrochloric Acid SCHEMBL5367650 0.94 HTR2A (0.60) HTR2ADRD2HTR1ATSHR
Hydrochloric Acid SCHEMBL5367657 0.94 HTR2A (0.60) HTR2ADRD2HTR1ATSHR
SCHEMBL5366298 0.92 HTR2A (0.54) HTR2ADRD2HTR1AKCNH2
SCHEMBL5366310 0.92 HTR2A (0.54) HTR2ADRD2HTR1AKCNH2
SCHEMBL7012797 0.90 HTR2A (0.58) HTR2ADRD2HTR1ACHRNA7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US claimed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US claimed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP claimed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP 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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 HTR2A 30/4885DRD2 2/4885HTR1A 25/4885

“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.