SCHEMBL5240261

SCHEMBL5240261

CC(C)C(C#N)(CCCN1CCN(c2ccccn2)CC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
POLB P06746 1/20 0.53
HRH3 Q9Y5N1 3/20 0.50
HTR1A P08908 2/20 0.50
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 1/20 0.48
CCR1 P32246 1/20 0.46
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL14431859 0.86 CCR3 (0.54) KCNH2HTR1ADRD2DRD3DRD1
SCHEMBL6490082 0.85 KCNH2 (0.46) KCNH2POLBHRH3HTR1ADRD2
SCHEMBL5239804 0.84 KCNA3 (0.60) KCNH2HTR1ADRD2DRD3SIGMAR1
SCHEMBL5240018 0.84 RAB9A (0.52) DRD2DRD3CCR1SIGMAR1
SCHEMBL5750060 0.83 CACNA1B (0.46) HRH3DRD2DRD3CCR1SIGMAR1
SCHEMBL5754583 0.83 CACNA1B (0.47) HRH3CCR1SIGMAR1
SCHEMBL14431854 0.83 SIGMAR1 (0.51) KCNH2HTR1ADRD2DRD3DRD1
SCHEMBL14431920 0.83 RAB9A (0.58) CCR1SIGMAR1
SCHEMBL5239108 0.82 HRH3 (0.50) HRH3HTR1ADRD2DRD3SIGMAR1
SCHEMBL14432578 0.81 HRH4 (0.49) DRD2DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 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 (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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E KCNH2 85/4885POLB 4044/4885HRH3 124/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D KCNH2 76/4885POLB 4249/4885HRH3 63/4885

“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.