SCHEMBL5465742

SCHEMBL5465742

O[C@@H](COc1cccc(-c2noc3ccsc23)c1)CN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
ABCB1 P08183 7/20 0.51
CYP2D6 P10635 2/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.46
PTPN1 P18031 2/20 0.45
ADORA2A P29274 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL5469939 0.88 KDM4E (0.57) ACE2SMN1; SMN2ABCB1KDM4EL3MBTL1
SCHEMBL5459027 0.88 MAPT (0.56) SMN1; SMN2ABCB1KDM4EL3MBTL1GAA
SCHEMBL7259191 0.86 MAPT (0.58) MAPK1
SCHEMBL7258918 0.86 MEN1 (0.57) ABCB1ATM
SCHEMBL5470074 0.86 KDM4E (0.54) SMN1; SMN2TSHRKDM4EMAPK1POLB
SCHEMBL5469975 0.86 HTR7 (0.49) SMN1; SMN2ABCB1TSHRKDM4EL3MBTL1
SCHEMBL15833305 0.86 PRMT5 (0.65)
SCHEMBL13898765 0.86 PRMT5 (0.65)
SCHEMBL7258542 0.86 PRMT5 (0.52)
SCHEMBL5460578 0.85 DRD4 (0.59) ABCB1TSHRATMGAAPOLB

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 10 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
JP-2003509432-A 2003-03-11 JP claimed
EP-1216250-A1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP claimed
WO-2001019833-A1 THIENOISOXAZOLYL- AND THIENYLPYRRAZOLYL-PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS, INC. (US) 2001-03-22 WO 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 ACE2 3212/4885SMN1; SMN2 3054/4885ABCB1 324/4885

“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.