SCHEMBL5452494

SCHEMBL5452494

COc1ccccc1CNC[C@](C)(O)COc1cccc(-c2noc3ccsc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.37
CYP3A4 P08684 7/20 0.37
CYP2D6 P10635 7/20 0.37
CYP2C19 P33261 7/20 0.37
LMNA P02545 6/20 0.37
TSHR P16473 5/20 0.37
CLK4 Q9HAZ1 3/20 0.37
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
CYP2C9 P11712 5/20 0.36
MAPK1 P28482 3/20 0.36
USP2 O75604 3/20 0.36
ALOX15 P16050 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
NPY2R P49146 1/20 0.36
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL5471726 1.00 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL7263682 1.00 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL5466158 0.89 GAA (0.33) NPSR1SLC16A3SLC16A1MCTS1
SCHEMBL5466493 0.89 GAA (0.33) NPSR1SLC16A3SLC16A1MCTS1
SCHEMBL5465818 0.89 SLC16A3 (0.35) LMNATSHRALDH1A1KDM4EHSD17B10
SCHEMBL5467551 0.89 MEN1 (0.34) CYP3A4CYP2C19LMNAMEN1KMT2A
SCHEMBL5463099 0.89 MEN1 (0.34) CYP3A4CYP2C19LMNAMEN1KMT2A
SCHEMBL7263967 0.87 DRD2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL3901120 0.87 DRD2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL5456746 0.87 KMT2A (0.36) CYP3A4CYP2C19LMNACLK4MEN1

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 CYP1A2 262/4885CYP3A4 54/4885CYP2D6 158/4885

“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.