SCHEMBL5319968

SCHEMBL5319968

CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(B(O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMO Q99835 3/20 0.40
SLC6A7 Q99884 1/20 0.40
ACHE P22303 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 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
SCHEMBL5326286 0.85 MAPT (0.49) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5322548 0.85 MMP1 (0.43) CYP2D6CYP2C9CYP2C19MMP1MMP3
SCHEMBL5322626 0.85 MAPT (0.49) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5652538 0.84 SMO (0.45) CYP2D6CYP2C9CYP2C19MMP1MMP3
SCHEMBL5341355 0.82 MMP1 (0.41) CYP2D6CYP2C9CYP2C19MMP1MMP3
SCHEMBL5347198 0.82 MMP1 (0.41) CYP2D6CYP2C9CYP2C19MMP1MMP3
SCHEMBL5653521 0.81 SLC6A7 (0.47) CYP2D6CYP2C9CYP2C19MMP1MMP3
SCHEMBL5652990 0.81 KDM4E (0.44) CYP2D6CYP2C9CYP2C19MMP1MMP3
SCHEMBL14366931 0.81 MMP8 (0.52) CYP2D6CYP2C9CYP2C19MMP1MMP3
SCHEMBL5322126 0.80 GCKR (0.51) MMP1MMP3MMP7MMP9MMP13

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 4 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
WO-2007103456-A2 PIPERAZINE AND PIPERIDINE BIARYL DERIVATIVES TRIMERIS, INC. (US) 2007-09-13 WO 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 CYP2D6 31/4885CYP2C9 55/4885CYP2C19 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.