SCHEMBL5460355

SCHEMBL5460355

O[C@@H](COc1cccc(-c2noc3ccsc23)c1)CN1CCN(c2ccccc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
ABCB1 P08183 8/20 0.46
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 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
SCHEMBL5469975 0.91 HTR7 (0.49) MAPTTP53ALDH1A1MAPK1HTT
SCHEMBL13902765 0.90 ABCB1 (0.46) MAPTTP53LMNAGAAALDH1A1
SCHEMBL5463844 0.90 PRMT5 (0.46) MAPTTP53LMNAGAAALDH1A1
SCHEMBL5466567 0.90 PRMT5 (0.47) MAPTABCB1HTR1AHTR7PRMT5
SCHEMBL5466556 0.90 PRMT5 (0.47) MAPTABCB1HTR1AHTR7PRMT5
SCHEMBL7263928 0.89 MAPT (0.56) MAPTTP53LMNAALDH1A1MAPK1
SCHEMBL5459027 0.88 MAPT (0.56) MAPTLMNAGAAALDH1A1MAPK1
Hydrochloric Acid SCHEMBL3901886 0.88 MAPT (0.55) MAPTTP53LMNAALDH1A1MAPK1
SCHEMBL7258918 0.88 MEN1 (0.57) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5469939 0.87 KDM4E (0.57) MAPTTP53GAAMAPK1HTT

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 MAPT 391/4885TP53 4095/4885LMNA 4884/4885

“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.