SCHEMBL5465616

SCHEMBL5465616

C[C@@](O)(CNCc1ccc(F)cc1)COc1cccc(-c2noc3ccsc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 4/20 0.33
ADORA2A P29274 1/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 5/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL5459095 1.00 SMN1; SMN2 (0.34) SMN1; SMN2MAPTADORA2ATSHRCYP3A4
Hydrochloric Acid SCHEMBL3895274 0.99 SMN1; SMN2 (0.36) SMN1; SMN2MAPTADORA2ATSHRCYP3A4
SCHEMBL5452507 0.92 ADORA2B (0.34) MAPTADORA2A
SCHEMBL7258471 0.92 NPSR1 (0.34) SMN1; SMN2MAPTTSHRCYP3A4CYP2D6
SCHEMBL5467657 0.92 NPSR1 (0.34) SMN1; SMN2MAPTTSHRCYP3A4CYP2D6
SCHEMBL3901120 0.92 DRD2 (0.35) SMN1; SMN2MAPTTSHRCYP3A4CYP2D6
SCHEMBL7263967 0.92 DRD2 (0.35) SMN1; SMN2MAPTTSHRCYP3A4CYP2D6
SCHEMBL7259454 0.92 ALOX5 (0.38) ADORA2AKMT2AMEN1
SCHEMBL5467726 0.92 EPHX2 (0.36) SMN1; SMN2KDM4EHPGDNPSR1PPARG
SCHEMBL5456746 0.92 KMT2A (0.36) SMN1; SMN2MAPTCYP3A4CYP2C19ALDH1A1

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 SMN1; SMN2 3054/4885MAPT 391/4885ADORA2A 144/4885

“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.