SCHEMBL5230745

SCHEMBL5230745

CCC(O)C1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SIGMAR1 Q99720 1/20 0.43
DRD2 P14416 5/20 0.42
HTT P42858 3/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR6 P50406 1/20 0.42
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
MC4R P32245 1/20 0.41
PKM P14618 1/20 0.41
IGF1R P08069 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL9387302 0.85 SIGMAR1 (0.46) KDM4ESIGMAR1DRD2HTTHTR1A
SCHEMBL7948775 0.82 SIGMAR1 (0.48) KDM4ESIGMAR1DRD2HTTHTR1A
SCHEMBL8441289 0.81 KDM4E (0.50) KDM4ESIGMAR1DRD2HTTHTR1A
SCHEMBL10616944 0.80 APOBEC3A (0.48) KDM4ESIGMAR1DRD2HTTHTR1A
SCHEMBL8444407 0.78 TACR1 (0.48) KDM4ESIGMAR1DRD2HTTHTR1A
SCHEMBL1474418 0.78 ALDH1A1 (0.40) KDM4EDRD2HTTHTR1AHTR2A
SCHEMBL10619020 0.77 MEN1 (0.52) DRD2HTR1AHTR2APKMMEN1
SCHEMBL1475073 0.76 KDM4E (0.38) KDM4ESIGMAR1DRD2HTTHTR1A
SCHEMBL1475399 0.76 HTT (0.38) KDM4EDRD2HTTHTR1AHTR2A
SCHEMBL12798134 0.75 SIGMAR1 (0.55) SIGMAR1DRD2HTTHTR1AHTR2A

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 KDM4E 2814/4885SIGMAR1 143/4885DRD2 43/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D KDM4E 3270/4885SIGMAR1 133/4885DRD2 97/4885

“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.