SCHEMBL6358798

SCHEMBL6358798

O/N=C(/CN1CCN(c2ncccn2)CC1)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.76
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 2/20 0.68
TSHR P16473 2/20 0.68
HTT P42858 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TMEM97 Q5BJF2 3/20 0.68
SIGMAR1 Q99720 3/20 0.68
DRD2 P14416 5/20 0.57
HTR1A P08908 4/20 0.56
HTR2A P28223 4/20 0.56
DRD3 P35462 4/20 0.56
ADRA2C P18825 1/20 0.56
HTR2C P28335 1/20 0.56
HRH1 P35367 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
DRD1 P21728 3/20 0.51
DRD5 P21918 2/20 0.51
SLC6A7 Q99884 1/20 0.51

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
SCHEMBL6349852 1.00 DRD4 (0.76) DRD4KDM4EALDH1A1TSHRHTT
SCHEMBL6349849 1.00 DRD4 (0.76) DRD4KDM4EALDH1A1TSHRHTT
SCHEMBL6357057 0.86 DRD4 (1.00) DRD4KDM4EALDH1A1SMN1; SMN2TMEM97
SCHEMBL6357062 0.86 DRD4 (1.00) DRD4KDM4EALDH1A1SMN1; SMN2TMEM97
SCHEMBL6357540 0.86 DRD4 (1.00) DRD4KDM4EALDH1A1SMN1; SMN2TMEM97
SCHEMBL6350328 0.81 KDM4E (1.00) DRD4KDM4EALDH1A1TSHRHTT
SCHEMBL6349951 0.75 DRD4 (1.00) DRD4TMEM97SIGMAR1DRD2HTR1A
SCHEMBL6352815 0.75 DRD4 (1.00) DRD4TMEM97SIGMAR1DRD2HTR1A
SCHEMBL6349954 0.75 DRD4 (1.00) DRD4TMEM97SIGMAR1DRD2HTR1A
SCHEMBL6349808 0.74 DRD4 (0.87) DRD4SMN1; SMN2TMEM97SIGMAR1DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2005-08-11 US claimed
US-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2005-08-11 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 (1 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-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction CYP19A1, SHBG, CYP17A1 DRD4 1272/4885KDM4E 1593/4885ALDH1A1 199/4885

“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.