SCHEMBL4184094

SCHEMBL4184094

O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccnc(N2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CHI3L1 P36222 5/20 0.42
CHIA Q9BZP6 4/20 0.42
CHIT1 Q13231 3/20 0.42
CHI3L2 Q15782 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
KCNH2 Q12809 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
DRD4 P21917 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
HTR2A P28223 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
DRD2 P14416 1/20 0.39
MCHR1 Q99705 1/20 0.39
LMNA P02545 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
SCHEMBL4170908 0.86 GAA (0.47) GAACHI3L1CHIACHIT1CHI3L2
SCHEMBL4174393 0.82 NPC1 (0.47) GAACHI3L1CHIACHIT1CHI3L2
SCHEMBL2824631 0.78 L3MBTL1 (0.48) GAACHIAALDH1A1MEN1MAPK1
SCHEMBL4177092 0.73 ADRA1D (0.50) GAAHTR1AHRH3HRH4
Hydrochloric Acid SCHEMBL4172845 0.72 ADRA1D (0.49) GAAHTR1AHRH3HRH4
SCHEMBL4180122 0.72 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EDRD4
Cyclopentane SCHEMBL4947613 0.71 HRH3 (0.46) GAAALDH1A1NPC1MEN1KMT2A
SCHEMBL4949994 0.71 HRH3 (0.46) GAAALDH1A1NPC1MEN1KMT2A
Cyclopropane SCHEMBL4950789 0.71 HRH3 (0.46) GAAALDH1A1NPC1MEN1KMT2A
Cyclohexane SCHEMBL4949278 0.71 HRH3 (0.46) GAAALDH1A1NPC1MEN1KMT2A

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 13 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
EP-1828134-A1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP claimed
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
WO-2006063718-A1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO 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 1999/4885CHI3L1 2273/4885CHIA 1248/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 GAA 1999/4885CHI3L1 2273/4885CHIA 1248/4885

“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.