SCHEMBL1477869

SCHEMBL1477869

C(=C/C1CCNCC1)\c1ccccc1OCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
KCNH2 Q12809 2/20 0.43
HTR3A P46098 1/20 0.43
HPGD P15428 1/20 0.42
SRC P12931 1/20 0.39
MCHR1 Q99705 2/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM1A O60341 1/20 0.38
HTR6 P50406 1/20 0.38
SLC6A3 Q01959 1/20 0.37
FAAH O00519 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KHK P50053 1/20 0.36
HTR2C P28335 1/20 0.36
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36

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
SCHEMBL1477872 1.00 SLC6A4 (0.43) SLC6A4SLC6A2KCNH2HTR3AHPGD
SCHEMBL5780734 0.80 SLC6A4 (0.54) SLC6A4SLC6A2KCNH2HTR3AMCHR1
SCHEMBL5782071 0.79 SIGMAR1 (0.48) HTR2C
SCHEMBL5778181 0.76 HPGD (0.50) SLC6A4SLC6A2KCNH2HTR3AHPGD
SCHEMBL1988972 0.75 SRC (0.46) HPGDSRCMCHR1NFKB1NFKB2
SCHEMBL3851835 0.75 SRC (0.63) HPGDSRCMCHR1NFKB1NFKB2
SCHEMBL5782610 0.75 SRC (0.37) HPGDSRCNFKB1NFKB2RELA
SCHEMBL5801431 0.74 SLC6A2 (0.61) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL5779805 0.74 HPGD (0.37) KCNH2HPGDSRC
SCHEMBL5782258 0.73 SMN1; SMN2 (0.49) FAAHCNR2

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 8 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-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
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 SLC6A4 826/4885SLC6A2 1216/4885KCNH2 451/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 SLC6A4 789/4885SLC6A2 1196/4885KCNH2 762/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SLC6A4 826/4885SLC6A2 1216/4885KCNH2 451/4885

“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.