SCHEMBL1474418

SCHEMBL1474418

Cc1ccsc1CC(O)C1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 4/20 0.38
POLB P06746 3/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
MC4R P32245 1/20 0.36
HTR6 P50406 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 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
SCHEMBL1475399 0.80 HTT (0.38) SMN1; SMN2KDM4EDRD2DRD4DRD3
SCHEMBL5230745 0.78 KDM4E (0.46) KDM4EPOLBDRD2DRD4DRD3
SCHEMBL1474930 0.76 KDM4E (0.42) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL9387302 0.75 SIGMAR1 (0.46) KDM4EPOLBDRD2DRD4DRD3
SCHEMBL1475073 0.73 KDM4E (0.38) KDM4EDRD2DRD4DRD3HTT
SCHEMBL7948775 0.72 SIGMAR1 (0.48) KDM4EPOLBDRD2DRD4DRD3
SCHEMBL8441289 0.72 KDM4E (0.50) KDM4EDRD2DRD4DRD3HTT
SCHEMBL10616944 0.71 APOBEC3A (0.48) KDM4EPOLBDRD2DRD4DRD3
SCHEMBL6618589 0.70 DRD2 (0.38) DRD2DRD4DRD3MC4RHTT
SCHEMBL8444407 0.69 TACR1 (0.48) KDM4EPOLBDRD2DRD4DRD3

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 ALDH1A1 363/4885MAPT 3562/4885SMN1; SMN2 1451/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 ALDH1A1 423/4885MAPT 3256/4885SMN1; SMN2 1325/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 ALDH1A1 363/4885MAPT 3562/4885SMN1; SMN2 1451/4885

“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.