SCHEMBL1475596

SCHEMBL1475596

CC(C)(C)Oc1nccnc1CN1CCC(C[S+]([O-])c2ccccc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
HTR2B P41595 3/20 0.36
HTR3A P46098 3/20 0.36
HTR4 Q13639 3/20 0.36
HTR2C P28335 2/20 0.36
HTR7 P34969 2/20 0.36
HTR1A P08908 1/20 0.36
ATM Q13315 1/20 0.34
ACHE P22303 1/20 0.34
P2RY1 P47900 1/20 0.34
C5AR1 P21730 1/20 0.33

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
SCHEMBL6797820 0.94 HTR1A (0.34) SCN9ASCN5AHTR2BHTR3AHTR4
SCHEMBL1475752 0.82 MAOA (0.50) HTR2CATMACHE
SCHEMBL1475973 0.81 DRD2 (0.42) ACHE
SCHEMBL1474680 0.81 HTR2B (0.41) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL6798697 0.80 GRM2 (0.47) SCN9ASCN5AHTR1AP2RY1
SCHEMBL1475875 0.80 SCN5A (0.35) SCN9ASCN5AHTR2BHTR3AHTR4
SCHEMBL1476294 0.79 ATM (0.40) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL1475908 0.79 CNR2 (0.36) SCN9ASCN5AHTR2BHTR3AHTR4
SCHEMBL1476209 0.78 POLB (0.44) HTR2BHTR3AHTR4HTR2CHTR7
SCHEMBL1474998 0.78 DRD2 (0.37) SCN9ASCN5AHTR1AC5AR1

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 SCN9A 990/4885SCN5A 550/4885HTR2B 545/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 SCN9A 467/4885SCN5A 291/4885HTR2B 886/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SCN9A 990/4885SCN5A 550/4885HTR2B 545/4885

“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.