SCHEMBL5326286

SCHEMBL5326286

C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(Br)s1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5322626 1.00 MAPT (0.49) MAPTL3MBTL1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL5322548 0.87 MMP1 (0.43) L3MBTL1MMP1MMP3MMP7MMP9
SCHEMBL5652538 0.86 SMO (0.45) L3MBTL1MMP1MMP3MMP7MMP9
SCHEMBL5319968 0.85 CYP2D6 (0.42) L3MBTL1MMP1MMP3MMP7MMP9
SCHEMBL5341355 0.84 MMP1 (0.41) L3MBTL1MMP1MMP3MMP7MMP9
SCHEMBL5347198 0.84 MMP1 (0.41) L3MBTL1MMP1MMP3MMP7MMP9
SCHEMBL5653521 0.83 SLC6A7 (0.47) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5321106 0.83 KMT2A (0.44) MAPTL3MBTL1SMN1; SMN2MMP1MMP3
SCHEMBL5652990 0.82 KDM4E (0.44) L3MBTL1MMP1MMP3MMP7MMP9
SCHEMBL14366931 0.82 MMP8 (0.52) MMP1MMP3MMP7MMP13ALDH1A1

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 5 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
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 MAPT 1269/4885L3MBTL1 4497/4885HCRTR1 1429/4885

“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.