SCHEMBL9906201

SCHEMBL9906201

CN1CCN(C)Cc2cccc(n2)CN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
HTR3E A5X5Y0 4/20 0.46
HTR3B O95264 4/20 0.46
HTR3A P46098 4/20 0.46
HTR3D Q70Z44 4/20 0.46
HTR3C Q8WXA8 4/20 0.46
DRD3 P35462 4/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ADRA2C P18825 2/20 0.44
DRD4 P21917 2/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
DRD5 P21918 2/20 0.40
DRD1 P21728 1/20 0.40
MAPT P10636 2/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL13227447 0.88 KDM4E (0.43) DRD2HTR3EHTR3BHTR3AHTR3D
SCHEMBL18157888 0.87 MAOA (0.38) DRD2HTR3EHTR3BHTR3AHTR3D
SCHEMBL25009806 0.82 KDM4E (0.39) DRD2HTR3EHTR3BHTR3AHTR3D
SCHEMBL27348843 0.82 CXCR4 (0.38) MAPTSIGMAR1HRH4KDM4EALDH1A1
SCHEMBL12133500 0.81 NCF1 (0.40) DRD2HTR3EHTR3BHTR3AHTR3D
SCHEMBL27349609 0.80 CXCR4 (0.37) MAPTLMNASIGMAR1HRH4KDM4E
SCHEMBL21211617 0.79 HTR3A (0.40) DRD2HTR3EHTR3BHTR3AHTR3D
SCHEMBL20624513 0.79 EGFR (0.40) DRD2HTR3EHTR3BHTR3AHTR3D
SCHEMBL16942426 0.77 CXCR4 (0.45) DRD2HTR3EHTR3BHTR3AHTR3D
SCHEMBL12747963 0.76 CYP2C19 (0.41) LMNAKMT2AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 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 (2 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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ DRD2 1722/4885HTR3E 4729/4885HTR3B 4628/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 DRD2 1607/4885HTR3E 4715/4885HTR3B 4595/4885

“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.