SCHEMBL4099405

SCHEMBL4099405

CCN(CC)CCCOc1cc(Cl)cc2c1Oc1ccccc1-c1cc(CO)sc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
MEN1 O00255 1/20 0.34
PIM1 P11309 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL4090920 0.91 KDM4E (0.36) MEN1KMT2APTPN1ALDH1A1KDM4E
SCHEMBL4105720 0.79 KDM4E (0.35) ALDH1A1KDM4EMAPT
SCHEMBL4091069 0.78 TP53 (0.40) TDP1ALDH1A1KDM4ETP53MAPT
SCHEMBL4090910 0.78 HTR1A (0.31) HTR2A
SCHEMBL4097169 0.77 KDM4E (0.39) TDP1ALDH1A1KDM4E
SCHEMBL4091852 0.77 KDM4E (0.36) ALDH1A1KDM4ETP53MAPT
SCHEMBL4090997 0.76 KDM4E (0.36) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL4103520 0.76 KDM4E (0.39) TDP1ALDH1A1KDM4ETP53MAPT
SCHEMBL5246323 0.76 ALDH1A1 (0.35) TDP1SCN1ASCN2ASCN3APTPN1
SCHEMBL4046122 0.69 CACNA1B (0.43) MEN1KMT2AALDH1A1KDM4EMAOB

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 1 patent. 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 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-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders MAOB, MAOA, TPH1 HTR2A 17/4885HTR2C 20/4885TDP1 847/4885

“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.