SCHEMBL13902871

SCHEMBL13902871

C[C@@](O)(COc1cccc(-c2noc3ccsc23)c1)CN1CCN(c2ccccc2N)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
KDM1A O60341 1/20 0.32
DRD2 P14416 7/20 0.32
HTR1A P08908 2/20 0.32
HTR2A P28223 2/20 0.32
DRD4 P21917 6/20 0.32
DRD3 P35462 4/20 0.32
HSP90AB1 P08238 3/20 0.32
ADRA2C P18825 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
CXCR1 P25024 1/20 0.30
CARM1 Q86X55 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL5454008 0.90 MAPT (0.44) MAPTDRD2HTR1ADRD4DRD3
SCHEMBL5451961 0.90 AR (0.37) MAPTSLC16A3SLC16A1DRD2HTR1A
SCHEMBL13902765 0.83 ABCB1 (0.46) MAPTHSP90AB1
SCHEMBL5467538 0.80 KDM1A (0.35) SLC16A3SLC16A1KDM1A
SCHEMBL3897793 0.78 CTSA (0.33) CXCR1
SCHEMBL3910471 0.78 CTSA (0.33) CXCR1
SCHEMBL3897797 0.78 CTSA (0.33) CXCR1
SCHEMBL5471697 0.76 DRD2 (0.49) DRD2HTR1AHTR2ADRD3HTR2C
SCHEMBL6070234 0.74 DRD2 (0.45) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL5469975 0.74 HTR7 (0.49) MAPTHTR1AHSP90AB1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 391/4885SLC16A3 2365/4885SLC16A1 4145/4885

“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.