SCHEMBL1475003

SCHEMBL1475003

COc1nccnc1C(C)N1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TACR1 P25103 1/20 0.40
RBP4 P02753 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 5/20 0.37
CYP2C9 P11712 3/20 0.37
ACHE P22303 1/20 0.37
C5AR1 P21730 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
POLQ O75417 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SSTR4 P31391 2/20 0.35
SSTR1 P30872 1/20 0.35

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
SCHEMBL1476777 0.88 F2 (0.38) KDM4EALDH1A1
SCHEMBL1475716 0.83 KDM4E (0.39) KDM4EALDH1A1RBP4L3MBTL1EPHX2
Oxalic Acid SCHEMBL1477950 0.81 KDM4E (0.38) KDM4EALDH1A1RBP4L3MBTL1EPHX2
SCHEMBL1474948 0.74 KDM4E (0.50) KDM4EALDH1A1RBP4EPHX2CYP2C9
SCHEMBL1475371 0.70 ALDH1A1 (0.37) KDM4EALDH1A1SIGMAR1MAPT
SCHEMBL5898600 0.70 GPR119 (0.40) KDM4EALDH1A1SSTR4
SCHEMBL5210901 0.69 SCD (0.61) KDM4EALDH1A1RBP4EPHX2CYP2C9
SCHEMBL1477074 0.68 SIGMAR1 (0.43) KDM4EALDH1A1C5AR1SIGMAR1
SCHEMBL1474405 0.68 SIGMAR1 (0.71) KDM4EALDH1A1C5AR1SIGMAR1TDP1
SCHEMBL1474799 0.68 KDM4E (0.47) KDM4EALDH1A1RBP4ACHEC5AR1

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 13 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-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-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
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

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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 KDM4E 2621/4885ALDH1A1 363/4885TACR1 1498/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 KDM4E 2621/4885ALDH1A1 363/4885TACR1 1498/4885

“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.