SCHEMBL5456576

SCHEMBL5456576

O[C@@H](COc1cccc(-c2noc3ccsc23)c1)CN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
HTR1A P08908 4/20 0.43
DRD2 P14416 4/20 0.43
PRMT5 O14744 3/20 0.43
WDR77 Q9BQA1 3/20 0.43
ADRB3 P13945 2/20 0.41
MAPT P10636 1/20 0.40
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5459027 0.86 MAPT (0.56) MAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL5469939 0.84 KDM4E (0.57) PRMT5WDR77MAPTKDM4ESMN1; SMN2
SCHEMBL4084929 0.84 PRMT5 (0.41) PRMT5WDR77ADRB3MAPTKDM4E
SCHEMBL4084916 0.84 PRMT5 (0.41) PRMT5WDR77ADRB3MAPTKDM4E
SCHEMBL5469975 0.83 HTR7 (0.49) HTR1APRMT5WDR77MAPTKDM4E
SCHEMBL5470074 0.83 KDM4E (0.54) PRMT5WDR77MAPTKDM4ESMN1; SMN2
SCHEMBL5460355 0.83 MAPT (0.53) HTR2AHTR1ADRD2PRMT5WDR77
SCHEMBL13902765 0.83 ABCB1 (0.46) MAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL5465742 0.83 ACE2 (0.57) KDM4ESMN1; SMN2L3MBTL1
SCHEMBL5466567 0.82 PRMT5 (0.47) HTR1APRMT5WDR77MAPTKDM4E

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
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-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-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 25/4885HTR1A 21/4885DRD2 2/4885

“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.