SCHEMBL5457202

SCHEMBL5457202

O[C@@H](COc1cccc(-c2noc3ccsc23)c1)CN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.58
MAPT P10636 8/20 0.57
TP53 P04637 1/20 0.57
HTR7 P34969 4/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 2/20 0.49
NLRP3 Q96P20 1/20 0.49
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
CACNA1G O43497 1/20 0.45
KCNH2 Q12809 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
SCHEMBL7259191 0.93 MAPT (0.58) RECQLMAPTTP53HTR7KMT2A
Hydrochloric Acid SCHEMBL3901421 0.92 MAPT (0.57) RECQLMAPTTP53HTR7KMT2A
SCHEMBL5459027 0.92 MAPT (0.56) MAPTHTR7ALDH1A1LMNAKMT2A
SCHEMBL5469975 0.88 HTR7 (0.49) MAPTTP53HTR7ALDH1A1NPSR1
SCHEMBL7258918 0.88 MEN1 (0.57) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL5462818 0.87 MAPT (0.55) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL5469939 0.87 KDM4E (0.57) MAPTTP53NPSR1KMT2AMEN1
SCHEMBL5465742 0.85 ACE2 (0.57) KDM4ESMN1; SMN2MAPK1
SCHEMBL5470074 0.85 KDM4E (0.54) MAPTTP53ALDH1A1LMNANPSR1
SCHEMBL5460355 0.84 MAPT (0.53) MAPTTP53HTR7ALDH1A1LMNA

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 RECQL 2922/4885MAPT 391/4885TP53 4095/4885

“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.