SCHEMBL4241355

SCHEMBL4241355

CCN1CCN(c2ccc(C#N)c(NCc3ccccc3)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.79
HTR2A P28223 1/20 0.79
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SIRT6 Q8N6T7 1/20 0.48
PRKACA P17612 1/20 0.48
CDK8 P49336 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK9 P50750 1/20 0.48
CDK5 Q00535 1/20 0.48
PRKCQ Q04759 1/20 0.48
ROCK1 Q13464 1/20 0.48
DYRK1A Q13627 1/20 0.48
LRRK2 Q5S007 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48

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
SCHEMBL3139968 0.88 HTR6 (1.00) HTR6HTR2AKDM4EHPGDTSHR
SCHEMBL4374134 0.79 HTR6 (0.55) HTR6HTR2AKDM4ESIRT6MAPT
SCHEMBL13181116 0.77 GAA (0.53) HTR6HTR2AKDM4EHPGDTSHR
SCHEMBL3152702 0.70 HTR6 (1.00) HTR6HTR2AMAPTNPSR1ALDH1A1
SCHEMBL20291629 0.70 DRD2 (0.52) HTR6HTR2A
SCHEMBL12497079 0.70 KDM4E (0.66) HTR6HTR2AKDM4EHPGDTSHR
SCHEMBL20242020 0.70 HTR6 (0.50) HTR6HTR2AKDM4EHPGDTSHR
SCHEMBL13928889 0.70 HTR6 (0.67) HTR6HTR2AMAPTALDH1A1HTT
SCHEMBL15722449 0.69 HTR6 (0.70) HTR6HTR2AKDM4ESIRT6MAPT
SCHEMBL3475619 0.69 KDM4E (1.00) HTR6HTR2AKDM4EHPGDTSHR

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-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 US 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-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments HTR6, HTR5A, HTR7 HTR6 1/4885HTR2A 4/4885KDM4E 2908/4885

“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.