SCHEMBL5467657

SCHEMBL5467657

Cc1ccc(CNC[C@](C)(O)COc2cccc(-c3noc4ccsc34)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 7/20 0.33
MEN1 O00255 6/20 0.33
TP53 P04637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 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
SCHEMBL7258471 1.00 NPSR1 (0.34) NPSR1TSHRATMKMT2AMEN1
SCHEMBL3901120 0.93 DRD2 (0.35) TSHRKMT2AMEN1TP53KDM4E
SCHEMBL7263967 0.93 DRD2 (0.35) TSHRKMT2AMEN1TP53KDM4E
SCHEMBL7258445 0.92 KMT2A (0.36) NPSR1KMT2AMEN1KDM4EMAPT
SCHEMBL5462821 0.92 KMT2A (0.36) NPSR1KMT2AMEN1KDM4EMAPT
SCHEMBL5465956 0.92 MEN1 (0.40) NPSR1TSHRKMT2AMEN1TP53
SCHEMBL5461828 0.92 MEN1 (0.40) NPSR1TSHRKMT2AMEN1TP53
SCHEMBL5456746 0.92 KMT2A (0.36) NPSR1KMT2AMEN1KDM4EMAPT
SCHEMBL5459095 0.92 SMN1; SMN2 (0.34) NPSR1TSHRKMT2AMEN1KDM4E
SCHEMBL5465616 0.92 SMN1; SMN2 (0.34) NPSR1TSHRKMT2AMEN1KDM4E

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 NPSR1 181/4885TSHR 106/4885ATM 1162/4885

“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.