SCHEMBL5368145

SCHEMBL5368145

CN1CCN(CC(O)COc2ccc(-c3noc4cc(F)ccc34)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
GLA P06280 1/20 0.57
HTR2A P28223 6/20 0.55
DRD2 P14416 5/20 0.55
HTR1A P08908 4/20 0.55
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 2/20 0.47
HRH3 Q9Y5N1 3/20 0.47
KCNH2 Q12809 3/20 0.47
HTR2C P28335 2/20 0.47
ADRA1A P35348 2/20 0.47
HRH1 P35367 2/20 0.47
DRD3 P35462 2/20 0.47
HTR6 P50406 2/20 0.47
CACNA1G O43497 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL5368135 1.00 KDM4E (0.57) KDM4EGLAHTR2ADRD2HTR1A
SCHEMBL5364392 0.90 ATM (0.55) KDM4EHTR2ADRD2HTR1AHSD17B10
SCHEMBL5364377 0.90 ATM (0.55) KDM4EHTR2ADRD2HTR1AHSD17B10
SCHEMBL5364371 0.90 ATM (0.55) KDM4EHTR2ADRD2HTR1AHSD17B10
SCHEMBL5378506 0.90 PKM (0.56) KDM4EHTR2ADRD2HTR1AALDH1A1
SCHEMBL5370489 0.90 PKM (0.56) KDM4EHTR2ADRD2HTR1AALDH1A1
SCHEMBL5370501 0.90 PKM (0.56) KDM4EHTR2ADRD2HTR1AALDH1A1
SCHEMBL5367014 0.87 KDM4E (0.51) KDM4EHTR2ADRD2HTR1AMAPT
SCHEMBL5371159 0.87 MAPT (0.55) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL5367033 0.87 KDM4E (0.51) KDM4EHTR2ADRD2HTR1AMAPT

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 6 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-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 KDM4E 710/4885GLA 4543/4885HTR2A 30/4885

“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.