SCHEMBL5464154

SCHEMBL5464154

O[C@@H](COc1ccc(-c2noc3ccsc23)cc1)CN1CCC(c2noc3cc(F)ccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.65
DRD2 P14416 10/20 0.65
HTR1A P08908 8/20 0.65
HRH3 Q9Y5N1 6/20 0.49
KCNH2 Q12809 5/20 0.49
HTR2C P28335 4/20 0.49
ADRA1A P35348 4/20 0.49
HRH1 P35367 4/20 0.49
HTR6 P50406 4/20 0.49
DRD3 P35462 3/20 0.49
ACHE P22303 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1B P35368 1/20 0.48
SLC6A4 P31645 1/20 0.47

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
SCHEMBL5456764 0.92 HTR2A (0.58) HTR2ADRD2HTR1AKCNH2HTR2C
SCHEMBL5368375 0.90 HTR2A (0.72) HTR2ADRD2HTR1AHRH3KCNH2
SCHEMBL5368366 0.90 HTR2A (0.72) HTR2ADRD2HTR1AHRH3KCNH2
SCHEMBL7128811 0.85 HTR2A (0.64) HTR2ADRD2HTR1AHRH3KCNH2
SCHEMBL1545448 0.84 HTR2A (0.77) HTR2ADRD2HTR1AHRH3KCNH2
SCHEMBL5465595 0.83 HTR2A (0.48) HTR2ADRD2HTR1ADRD3
SCHEMBL7496035 0.83 HTR2A (0.69) HTR2ADRD2HTR1AHRH3KCNH2
SCHEMBL5375200 0.82 HTR2A (0.61) HTR2ADRD2HTR1A
SCHEMBL5359089 0.82 HTR2A (0.61) HTR2ADRD2HTR1A
SCHEMBL5359086 0.82 HTR2A (0.61) HTR2ADRD2HTR1A

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
EP-1216250-B1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMA INC (US) 2003-11-19 EP claimed
US-7511046-B2 Thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists AVENTIS HOKLINGS INC. (US) 2009-03-31 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-7125903-B1 Thienoisoxazolyl-and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2006-10-24 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-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 HTR2A 25/4885DRD2 2/4885HTR1A 21/4885

“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.