SCHEMBL5228400

SCHEMBL5228400

CCC(O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
CCR3 P51677 1/20 0.54
SIGMAR1 Q99720 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
CXCR4 P61073 1/20 0.51
OPRM1 P35372 2/20 0.50
BCHE P06276 1/20 0.50
BACE1 P56817 1/20 0.50
MC4R P32245 1/20 0.50

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
SCHEMBL12459768 0.91 ACHE (0.53) ACHECCR3ALDH1A1ABL1RIN1
SCHEMBL12459770 0.91 ACHE (0.53) ACHECCR3ALDH1A1ABL1RIN1
SCHEMBL18848489 0.86 ACHE (0.54) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL2953321 0.86 ACHE (0.54) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL28639634 0.86 ACHE (0.54) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL19770184 0.85 ACHE (0.62) ACHECCR3SIGMAR1ABL1RIN1
SCHEMBL7651915 0.85 ACHE (0.62) ACHECCR3SIGMAR1ABL1RIN1
SCHEMBL8265859 0.85 ACHE (0.54) ACHECCR3SIGMAR1MEN1KMT2A
SCHEMBL19450643 0.85 ACHE (0.61) ACHECCR3SIGMAR1MEN1KMT2A
SCHEMBL13515107 0.83 ACHE (0.64) ACHECCR3SIGMAR1MEN1ALDH1A1

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-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 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 ACHE 1205/4885CCR3 1951/4885SIGMAR1 143/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D ACHE 619/4885CCR3 1977/4885SIGMAR1 133/4885

“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.