SCHEMBL4170908

SCHEMBL4170908

O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccnc(N2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
CHI3L1 P36222 4/20 0.40
CXCR3 P49682 4/20 0.40
CHIA Q9BZP6 3/20 0.40
CHIT1 Q13231 2/20 0.40
CHI3L2 Q15782 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
KCNH2 Q12809 2/20 0.39
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL4184094 0.86 GAA (0.43) GAAMEN1ALDH1A1KMT2AMAPK1
SCHEMBL2824631 0.86 L3MBTL1 (0.48) GAAL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL4951124 0.84 HRH3 (0.39) MEN1ALDH1A1KMT2AHRH3DRD4
SCHEMBL4951044 0.84 SLC6A9 (0.42) MEN1ALDH1A1KMT2AHRH3ACHE
SCHEMBL4170887 0.80 ALDH1A1 (0.50) MEN1ALDH1A1KMT2AMAPK1HRH3
SCHEMBL2825670 0.76 ALDH1A1 (0.45) MEN1ALDH1A1KMT2ACXCR3HRH3
Cyclohexane SCHEMBL4948500 0.76 HRH3 (0.49) GAAMEN1ALDH1A1KMT2AHRH3
SCHEMBL4190388 0.75 ALDH1A1 (0.47) ALDH1A1CXCR3HRH3
SCHEMBL2825973 0.75 ALDH1A1 (0.48) L3MBTL1MEN1ALDH1A1KMT2AMAPK1
SCHEMBL4180925 0.73 LOXL2 (0.45) GAAMEN1ALDH1A1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612076-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-03 US claimed
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES NETTEKOVEN MATTHIAS HEINRICH 2009-02-12 US claimed
EP-1828134-B1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS HOFFMANN LA ROCHE (CH) 2008-10-29 EP claimed
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
US-7612076-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES NETTEKOVEN MATTHIAS HEINRICH 2009-02-12 US disclosed
US-7456175-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-25 US disclosed
EP-1828134-B1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS HOFFMANN LA ROCHE (CH) 2008-10-29 EP disclosed
EP-1828134-A1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP disclosed
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063718-A1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 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 (2 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-20060135528-A1 Piperazinyl-pyridine derivatives HRH4, HRH3, H1-3 GAA 1999/4885L3MBTL1 4212/4885MEN1 3510/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 GAA 1999/4885L3MBTL1 4212/4885MEN1 3510/4885

“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.