SCHEMBL1476057

SCHEMBL1476057

O=c1[nH]cccc1CN1CCC(O)(C#Cc2ccccc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.38
KCNH2 Q12809 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MCHR1 Q99705 1/20 0.35
CYP2A13 Q16696 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.34
ADAM17 P78536 1/20 0.34
CBLB Q13191 1/20 0.34
MEN1 O00255 2/20 0.33
COMT P21964 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1476013 0.87 CCR8 (0.40) CCR8KCNH2GAAALDH1A1CYP2A13
SCHEMBL1475748 0.82 EGLN1 (0.35) MCHR1LMNAHTTDPP4
SCHEMBL12827514 0.79 ALDH1A1 (0.48) CCR8KCNH2GAAALDH1A1DRD2
SCHEMBL1474804 0.77 ALDH1A1 (0.41) CCR8KCNH2GAAALDH1A1DRD2
SCHEMBL1476956 0.74 KCNH2 (0.44) CCR8KCNH2GAAALDH1A1DRD2
SCHEMBL5400844 0.72 DPP4 (0.38) CCR8KCNH2GAAALDH1A1DRD2
SCHEMBL1475312 0.71 KCNH2 (0.43) CCR8KCNH2ALDH1A1CYP2A13KDM4E
SCHEMBL14431328 0.70 KCNH2 (0.44) CCR8KCNH2ALDH1A1DRD2KDM4E
SCHEMBL1475414 0.70 EGLN1 (0.41)
SCHEMBL1474590 0.70 KCNH2 (0.42) CCR8KCNH2ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 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 (3 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 CCR8 1336/4885KCNH2 451/4885GAA 2885/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 CCR8 1016/4885KCNH2 762/4885GAA 3720/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 CCR8 1336/4885KCNH2 451/4885GAA 2885/4885

“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.