SCHEMBL8330692

SCHEMBL8330692

COC(=O)C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
HTR2A P28223 1/20 0.59
CACNA1G O43497 2/20 0.57
ALDH1A1 P00352 1/20 0.56
ERCC1 P07992 1/20 0.56
ERCC4 Q92889 1/20 0.56
SIGMAR1 Q99720 2/20 0.54
DRD3 P35462 1/20 0.54
IDO1 P14902 1/20 0.53
TDO2 P48775 1/20 0.53

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
SCHEMBL1505913 0.86 ALDH1A1 (0.75) KDM4EALDH1A1
SCHEMBL14495108 0.86 HTR2A (0.67) HTR2ACACNA1G
SCHEMBL4591716 0.86 ALDH1A1 (0.67) KDM4EALDH1A1SIGMAR1
SCHEMBL493434 0.86 MEN1 (0.61) KDM4ECACNA1GALDH1A1SIGMAR1
SCHEMBL7851403 0.86 KDM4E (0.60) KDM4EALDH1A1SIGMAR1
SCHEMBL2794872 0.85 ALDH1A1 (0.63) KDM4EALDH1A1SIGMAR1
SCHEMBL29241052 0.84 KDM4E (0.65) KDM4EALDH1A1
SCHEMBL25011360 0.83 KDM4E (0.57) KDM4EALDH1A1
SCHEMBL22470305 0.83 POLB (0.57) KDM4EALDH1A1
SCHEMBL31415004 0.83 KDM4E (0.57) KDM4EALDH1A1

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-9249098-B2 Derivatives of donepezil CHENG XUEHENG (US) 2016-02-02 US disclosed
US-9249098-B2 Derivatives of donepezil CHENG XUEHENG (US) 2016-02-02 US disclosed
US-20150225343-A1 NOVEL DERIVATIVES OF DONEPEZIL CHENG XUEHENG (US) 2015-08-13 US disclosed
US-20150225343-A1 NOVEL DERIVATIVES OF DONEPEZIL CHENG XUEHENG (US) 2015-08-13 US disclosed
WO-2014008629-A1 NOVEL DERIVATIVES OF DONEPEZIL SUZHOU SHANGZHI BIOTECH LIMITED (CN) 2014-01-16 WO disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 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-20150225343-A1 NOVEL DERIVATIVES OF DONEPEZIL ACHE, BCHE, HNMT KDM4E 893/4885HTR2A 474/4885CACNA1G 1104/4885

“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.