SCHEMBL5370498

SCHEMBL5370498

N#Cc1ccccc1N1CCN(C[C@H](O)COc2ccc(-c3noc4cc(F)ccc34)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.53
HTR7 P34969 3/20 0.53
HSP90AB1 P08238 1/20 0.52
HTR2A P28223 2/20 0.48
DRD2 P14416 2/20 0.48
MAPT P10636 3/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
CACNA1G O43497 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 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
SCHEMBL5363235 1.00 HTR1A (0.53) HTR1AHTR7HSP90AB1HTR2ADRD2
SCHEMBL5363239 1.00 HTR1A (0.53) HTR1AHTR7HSP90AB1HTR2ADRD2
SCHEMBL5371159 0.88 MAPT (0.55) HTR7MAPTALDH1A1LMNACACNA1G
SCHEMBL1380255 0.88 MAPT (0.55) HTR7MAPTALDH1A1LMNACACNA1G
SCHEMBL1380261 0.88 MAPT (0.55) HTR7MAPTALDH1A1LMNACACNA1G
SCHEMBL7564915 0.86 HTR1A (0.52) HTR1AHTR7HSP90AB1DRD2MAPT
SCHEMBL7564923 0.86 HTR1A (0.52) HTR1AHTR7HSP90AB1DRD2MAPT
SCHEMBL5367033 0.86 KDM4E (0.51) HTR1AHTR2ADRD2MAPTALDH1A1
SCHEMBL5367014 0.86 KDM4E (0.51) HTR1AHTR2ADRD2MAPTALDH1A1
SCHEMBL5370452 0.86 KDM4E (0.51) HTR1AHTR2ADRD2MAPTALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US claimed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US claimed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP claimed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP 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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 HTR1A 25/4885HTR7 40/4885HSP90AB1 1957/4885

“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.