SCHEMBL1475871

SCHEMBL1475871

CC(C)(C)Oc1nccnc1CN1CCC2(CC1)CC(Oc1ccccc1F)C2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.35
KCNH2 Q12809 4/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 3/20 0.33
MLNR O43193 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
TYRO3 Q06418 2/20 0.32
AXL P30530 1/20 0.32
USP2 O75604 1/20 0.31
GRIN1 Q05586 4/20 0.31
GRIN2B Q13224 4/20 0.31
SSTR4 P31391 1/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31

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
Hydrochloric Acid SCHEMBL1475027 0.94 CYP2D6 (0.40) CCR8KCNH2SCN5ASCN9ACYP2D6
SCHEMBL1475254 0.81 PIM1 (0.35) CCR8KCNH2CYP2D6CYP3A4EGLN1
SCHEMBL1475575 0.81 DRD2 (0.35) CCR8KCNH2SCN9ACYP2D6CYP3A4
SCHEMBL1475423 0.80 PIM1 (0.35) CCR8KCNH2CYP2D6CYP3A4EGLN1
SCHEMBL1475273 0.78 KCNH2 (0.33) CCR8KCNH2CYP2D6CYP3A4EGLN1
SCHEMBL1475002 0.78 EGLN1 (0.35) CCR8KCNH2SCN5ASCN9ACYP2D6
SCHEMBL1475973 0.77 DRD2 (0.42) CYP2D6CYP3A4
SCHEMBL12827745 0.77 ALDH1A1 (0.47) EGLN1USP2
SCHEMBL1474998 0.77 DRD2 (0.37) SCN5ASCN9ACYP2D6CYP3A4
SCHEMBL1475253 0.76 ALDH1A1 (0.33) CCR8KCNH2CYP2D6CYP3A4EGLN1

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 CCR8 1336/4885KCNH2 451/4885SCN5A 550/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 CCR8 1016/4885KCNH2 762/4885SCN5A 291/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 CCR8 1336/4885KCNH2 451/4885SCN5A 550/4885

“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.