SCHEMBL3649848

SCHEMBL3649848

Cc1cc(F)ccc1N1CCN(S(=O)(=O)C(C)C)CC1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TACR1 P25103 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.36
HTR7 P34969 4/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY5R Q15761 1/20 0.34
HSD11B1 P28845 1/20 0.34
SLC6A9 P48067 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
TACR3 P29371 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4214246 0.83 SLC6A9 (0.48) LMNATACR1SMN1; SMN2GAAHTR7
SCHEMBL5391800 0.80 TACR1 (0.41) LMNATACR1HTR7HCRTR1HCRTR2
SCHEMBL3643820 0.79 HTR2A (0.46) LMNAEPHX2TP53MAPT
SCHEMBL3652616 0.79 GPR183 (0.46) LMNAGAAMEN1KMT2AHSD11B1
SCHEMBL3652149 0.78 CNR1 (0.47) LMNASMN1; SMN2EPHX2TP53MEN1
SCHEMBL3701205 0.78 PRCP (0.40) HSD11B1
SCHEMBL3655511 0.75 FABP1 (0.59) SMN1; SMN2GAATP53MAPTMAPK1
SCHEMBL3804448 0.73 SMN1; SMN2 (0.46) LMNASMN1; SMN2HTR7TP53MEN1
SCHEMBL5386170 0.73 MEN1 (0.50) TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5392623 0.72 MEN1 (0.49) TACR1MEN1KMT2AHTT

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
EP-2188266-B1 Novel piperazine amide derivatives HOFFMANN LA ROCHE (CH) 2012-10-17 EP disclosed
US-8288541-B2 Piperazine amide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
EP-2188266-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-26 EP disclosed
WO-2009021868-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO disclosed
US-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 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-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES NR1H2, NR1H3, NR1I2 LMNA 2374/4885TACR1 379/4885SMN1; SMN2 4668/4885

“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.