SCHEMBL4090920

SCHEMBL4090920

CN(C)CCCOc1cc(Cl)cc2c1Oc1ccccc1-c1cc(CO)sc1-2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
CHEK1 O14757 3/20 0.35
WEE1 P30291 3/20 0.35
CDK1 P06493 2/20 0.34
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1B P28222 1/20 0.33
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL4099405 0.91 HTR2A (0.35) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4105720 0.87 KDM4E (0.35) KDM4ECHEK1WEE1CDK1ALDH1A1
SCHEMBL4097169 0.86 KDM4E (0.39) KDM4ECHEK1WEE1ALDH1A1SMN1; SMN2
SCHEMBL4091852 0.86 KDM4E (0.36) KDM4ECHEK1WEE1ALDH1A1MAPT
SCHEMBL4090997 0.85 KDM4E (0.36) KDM4ECHEK1WEE1CDK1ALDH1A1
SCHEMBL4103520 0.83 KDM4E (0.39) KDM4ECHEK1WEE1ALDH1A1MAPT
SCHEMBL4091069 0.83 TP53 (0.40) KDM4ECHEK1WEE1CDK1ALDH1A1
SCHEMBL4046122 0.79 CACNA1B (0.43) KDM4EALDH1A1SMN1; SMN2CACNA1HCACNA1B
SCHEMBL5242696 0.79 HTR1B (0.41) KDM4EHTR7HTR1BPTPN1HRH1
SCHEMBL4044507 0.78 PDK2 (0.43) KDM4EALDH1A1SMN1; SMN2CACNA1HCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB (HR) 2009-09-03 US claimed
EP-1846414-A1 TETRACYCLIC MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISEASES AND DISORDERS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-10-24 EP claimed
WO-2006109190-A1 TETRACYCLIC MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISEASES AND DISORDERS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2006-10-19 WO claimed

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-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders MAOB, MAOA, TPH1 KDM4E 1376/4885CHEK1 4696/4885WEE1 1779/4885

“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.