SCHEMBL1476417

SCHEMBL1476417

COc1nccnc1C(C)N1CCC(COc2ccccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
P2RY1 P47900 1/20 0.39
EGFR P00533 1/20 0.38
POLB P06746 1/20 0.38
HTR4 Q13639 4/20 0.37
HTR7 P34969 3/20 0.37
HTR2B P41595 3/20 0.37
HTR2C P28335 2/20 0.37
HTR3A P46098 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2D6 P10635 2/20 0.36
DCPS Q96C86 1/20 0.36
HPGD P15428 1/20 0.35
CHRM1 P11229 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 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
SCHEMBL1476167 0.81 HPGD (0.36) P2RY1POLBHTR4HTR7HTR2B
SCHEMBL1474060 0.78 DCPS (0.46) CHRNB4CHRNA3POLBHTR4HTR7
Oxalic Acid SCHEMBL1476611 0.77 HRH3 (0.38) P2RY1HPGD
SCHEMBL5213092 0.77 HTR4 (0.46) CHRNB4CHRNA3HTR4HTR7HTR2B
SCHEMBL1476777 0.76 F2 (0.38) KCNH2
SCHEMBL5784140 0.75 DCPS (0.52) CHRNB4CHRNA3P2RY1HTR4HTR7
SCHEMBL1474957 0.75 POLB (0.48) CHRNB4CHRNA3POLBHTR4HTR7
SCHEMBL28754669 0.72 POLB (0.43) CHRNB4CHRNA3EGFRPOLBHTR4
SCHEMBL1477400 0.72 POLB (0.56) CHRNB4CHRNA3POLBCYP2D6
SCHEMBL27599579 0.71 POLB (0.40) CHRNB4CHRNA3EGFRPOLBHTR4

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 17 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
CN-100389113-C Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2008-05-21 CN 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
CN-1630650-A Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2005-06-22 CN 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 CHRNB4 1730/4885CHRNA3 1395/4885P2RY1 223/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 CHRNB4 2356/4885CHRNA3 2106/4885P2RY1 301/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 CHRNB4 1730/4885CHRNA3 1395/4885P2RY1 223/4885

“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.