SCHEMBL5228904

SCHEMBL5228904

N#Cc1cccc(OCCN2CCNCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HRH1 P35367 3/20 0.58
HRH3 Q9Y5N1 3/20 0.58
HRH2 P25021 2/20 0.58
LTA4H P09960 2/20 0.56
TBXAS1 P24557 1/20 0.54
HTR2C P28335 2/20 0.54
CCR3 P51677 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
BACE1 P56817 1/20 0.47
EPHX2 P34913 1/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL30357733 0.89 LTA4H (0.61) KDM4EALDH1A1HRH1HRH3HRH2
SCHEMBL5229369 0.84 HRH3 (0.78) KDM4EALDH1A1HRH1HRH3HRH2
SCHEMBL1730425 0.84 LTA4H (0.55) ALDH1A1HRH1HRH3HRH2LTA4H
SCHEMBL9122265 0.82 LTA4H (0.77) KDM4EALDH1A1LTA4HSMN1; SMN2MAPT
SCHEMBL211606 0.82 LTA4H (0.77) KDM4EALDH1A1LTA4HSMN1; SMN2MAPT
SCHEMBL1728618 0.81 HRH1 (0.58) ALDH1A1HRH1HRH3HRH2LTA4H
SCHEMBL8785521 0.80 ALDH1A1 (0.61) KDM4EALDH1A1HRH3LTA4HSMN1; SMN2
SCHEMBL5237958 0.80 KDM4E (0.64) KDM4EALDH1A1HRH3LTA4HSMN1; SMN2
SCHEMBL5754270 0.80 KDM4E (0.61) KDM4EALDH1A1HRH3LTA4HSMN1; SMN2
SCHEMBL14320388 0.80 LTA4H (0.63) KDM4EALDH1A1HRH3LTA4HSMN1; SMN2

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 2814/4885ALDH1A1 1832/4885HRH1 63/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D KDM4E 3270/4885ALDH1A1 2538/4885HRH1 55/4885

“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.