SCHEMBL1475282

SCHEMBL1475282

CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.42
SIGMAR1 Q99720 5/20 0.41
GPR119 Q8TDV5 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
GSK3B P49841 3/20 0.38
POLB P06746 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL1475672 0.93 GPR119 (0.43) CACNA1GSIGMAR1GPR119ALDH1A1KDM4E
SCHEMBL1475685 0.91 CACNA1G (0.41) CACNA1GSIGMAR1GPR119ALDH1A1KDM4E
SCHEMBL1474608 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EACHE
SCHEMBL1475770 0.89 KDM4E (0.43) CACNA1GSIGMAR1GPR119ALDH1A1KDM4E
SCHEMBL1475568 0.89 SIGMAR1 (0.43) SIGMAR1ALDH1A1POLB
SCHEMBL1477074 0.89 SIGMAR1 (0.43) CACNA1GSIGMAR1ALDH1A1KDM4EMAPK1
SCHEMBL1474622 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1NPSR1
SCHEMBL1474678 0.89 ALDH1A1 (0.48) SIGMAR1GPR119ALDH1A1ACHEF10
SCHEMBL1476046 0.89 GPR119 (0.43) CACNA1GSIGMAR1GPR119ALDH1A1F10
SCHEMBL1474948 0.89 KDM4E (0.50) SIGMAR1ALDH1A1KDM4ENPSR1ACHE

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 15 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
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 CACNA1G 1470/4885SIGMAR1 193/4885GPR119 2649/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 CACNA1G 1367/4885SIGMAR1 72/4885GPR119 1520/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 CACNA1G 1470/4885SIGMAR1 193/4885GPR119 2649/4885

“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.