SCHEMBL5655058

SCHEMBL5655058

CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2cc(-n3ccnc3)ncn2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
CYP3A4 P08684 6/20 0.40
CYP2D6 P10635 6/20 0.40
CYP1A2 P05177 5/20 0.40
HSD17B10 Q99714 4/20 0.40
CLK4 Q9HAZ1 3/20 0.40
ALOX15 P16050 3/20 0.40
CYP2C19 P33261 7/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.37
SMO Q99835 3/20 0.37
SLC6A7 Q99884 1/20 0.36
MMP8 P22894 2/20 0.36
MMP3 P08254 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GHSR Q92847 1/20 0.35
MMP1 P03956 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
SCHEMBL5652959 0.83 GSK3B (0.51) GSK3BCYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL5653667 0.82 GRM5 (0.46) GSK3BCYP2D6CYP2C19LMNAALDH1A1
SCHEMBL14366931 0.81 MMP8 (0.52) CYP2D6CYP2C19ALDH1A1SMOSLC6A7
SCHEMBL5653521 0.80 SLC6A7 (0.47) CYP2D6CYP2C19ALDH1A1SMOSLC6A7
SCHEMBL5652388 0.79 SMO (0.50) CYP3A4CYP2D6CYP2C19SMOSLC6A7
SCHEMBL5652538 0.77 SMO (0.45) CYP2D6CYP2C19SMOSLC6A7MMP3
SCHEMBL5654349 0.77 SMO (0.53) CYP3A4CYP2D6CYP2C19SMOSLC6A7
SCHEMBL5652861 0.76 SMO (0.46) SMOSLC6A7MMP3GHSRMMP1
SCHEMBL5656800 0.76 SMO (0.44) CYP2D6CYP2C19ALDH1A1SMOSLC6A7
SCHEMBL5654070 0.76 GRM5 (0.45) ALDH1A1SMOMMP8MMP3GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 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-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 GSK3B 1122/4885CYP3A4 13/4885CYP2D6 31/4885

“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.