SCHEMBL1475459

SCHEMBL1475459

CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2Br)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
FAAH O00519 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.36
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
ATM Q13315 1/20 0.35
RECQL P46063 1/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL1474608 0.91 ALDH1A1 (0.47) FAAHALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL1475568 0.89 SIGMAR1 (0.43) SIGMAR1FAAHALDH1A1ABL1RIN1
SCHEMBL1475282 0.89 CACNA1G (0.42) SIGMAR1ALDH1A1KDM4E
SCHEMBL1475301 0.88 SIGMAR1 (0.46) SIGMAR1FAAHALDH1A1KDM4ETSHR
SCHEMBL1474948 0.87 KDM4E (0.50) SIGMAR1ALDH1A1KDM4EATM
SCHEMBL1475397 0.87 LMNA (0.36) ALDH1A1KDM4EL3MBTL1TSHRABL1
SCHEMBL1476136 0.87 F10 (0.41) ALDH1A1KDM4EL3MBTL1TSHRABL1
SCHEMBL1476050 0.87 MAPT (0.47) ALDH1A1KDM4ELMNA
SCHEMBL1475738 0.87 SIGMAR1 (0.43) SIGMAR1ALDH1A1KDM4EL3MBTL1
SCHEMBL1475479 0.87 CD274 (0.42) FAAHALDH1A1KDM4EL3MBTL1ABL1

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 14 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
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 SIGMAR1 193/4885FAAH 2292/4885ALDH1A1 363/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 SIGMAR1 72/4885FAAH 2884/4885ALDH1A1 423/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SIGMAR1 193/4885FAAH 2292/4885ALDH1A1 363/4885

“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.