SCHEMBL3902898

SCHEMBL3902898

O=CN1CCC(c2nsc3cc(F)ccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
GRM4 Q14833 7/20 0.38
CYP1A2 P05177 3/20 0.38
DRD2 P14416 4/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
GRM2 Q14416 1/20 0.36
ACHE P22303 2/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2A P28223 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 2/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL8125740 0.80 GRM4 (0.55) HTR1DHTR1BGRM4CYP1A2
SCHEMBL13898982 0.80 HTR1D (0.44) HTR1DHTR1BGRM4CYP1A2DRD2
SCHEMBL8716257 0.80 HTR1D (0.51) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL10980074 0.79 DRD2 (0.33) HTR1DHTR1BGRM4CYP1A2DRD2
SCHEMBL8467925 0.78 HTR1D (0.42) HTR1DHTR1BGRM4CYP1A2DRD2
SCHEMBL6186847 0.78 HTR1D (0.54) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL8346568 0.78 HTR1D (0.45) HTR1DHTR1BGRM4CYP1A2DRD2
SCHEMBL1545776 0.77 CYP1A2 (0.41) HTR1DHTR1BGRM4CYP1A2SLC6A4
SCHEMBL8346564 0.77 HTR1D (0.44) HTR1DHTR1BGRM4CYP1A2DRD2
Hydrochloric Acid SCHEMBL6221807 0.76 CYP1A2 (0.41) HTR1DHTR1BGRM4CYP1A2SLC6A4

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 12 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-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
EP-1216250-B1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMA INC (US) 2003-11-19 EP disclosed
EP-1216250-A1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP disclosed
WO-2001019833-A1 THIENOISOXAZOLYL- AND THIENYLPYRRAZOLYL-PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS, INC. (US) 2001-03-22 WO disclosed
EP-0536512-B1 A method and intermediates for the preparation of 6-fluorobenzisothiazoles HOECHST MARION ROUSSEL INC (US) 1997-11-05 EP disclosed
EP-0536512-A1 A method and intermediates for the preparation of 6-fluorobenzisothiazoles HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-04-14 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-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 HTR1D 36/4885HTR1B 34/4885GRM4 26/4885

“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.