SCHEMBL5656800

SCHEMBL5656800

Cc1cccnc1-c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2C)s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.44
SLC6A7 Q99884 1/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MMP3 P08254 3/20 0.41
MMP8 P22894 2/20 0.41
MMP1 P03956 2/20 0.39
MMP7 P09237 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL5653521 0.89 SLC6A7 (0.47) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5653029 0.88 HSD11B1 (0.46) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL14366931 0.88 MMP8 (0.52) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL14414563 0.87 SMO (0.42) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5653667 0.85 GRM5 (0.46) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5652538 0.83 SMO (0.45) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5654349 0.83 SMO (0.53) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5652388 0.83 SMO (0.50) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5652959 0.83 GSK3B (0.51) SMOSLC6A7CYP2C19CYP2D6CYP2C9
SCHEMBL5654070 0.81 GRM5 (0.45) SMOALDH1A1MMP3MMP8MMP1

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 SMO 3378/4885SLC6A7 53/4885CYP2C19 20/4885

“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.