SCHEMBL1476046

SCHEMBL1476046

CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cc(F)ccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2A P28223 1/20 0.40
CACNA1G O43497 3/20 0.37
F10 P00742 1/20 0.37
GLP1R P43220 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
ACKR3 P25106 2/20 0.36
MTNR1B P49286 1/20 0.35
CCR3 P51677 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL1474678 0.93 ALDH1A1 (0.48) GPR119SIGMAR1ALDH1A1TDP1HTR2A
SCHEMBL1475282 0.89 CACNA1G (0.42) GPR119SIGMAR1ALDH1A1CACNA1GF10
SCHEMBL1475086 0.87 CACNA1G (0.42) SIGMAR1ALDH1A1HTR2ACACNA1GF10
SCHEMBL1475351 0.85 SIGMAR1 (0.44) GPR119SIGMAR1ALDH1A1CACNA1GF10
SCHEMBL1475672 0.85 GPR119 (0.43) GPR119SIGMAR1ALDH1A1CACNA1GF10
SCHEMBL1475301 0.84 SIGMAR1 (0.46) SIGMAR1ALDH1A1CACNA1GF10ACKR3
SCHEMBL1475540 0.84 ALDH1A1 (0.32) GPR119ALDH1A1TDP1CACNA1GF10
SCHEMBL1475941 0.84 KDM4E (0.33) ALDH1A1TDP1CACNA1GF10
SCHEMBL1475770 0.84 KDM4E (0.43) GPR119SIGMAR1ALDH1A1TDP1CACNA1G
SCHEMBL1476087 0.83 EPHX2 (0.40) ALDH1A1GLP1R

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 GPR119 2649/4885SIGMAR1 193/4885ALDH1A1 363/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 GPR119 1520/4885SIGMAR1 72/4885ALDH1A1 423/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 GPR119 2649/4885SIGMAR1 193/4885ALDH1A1 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.