SCHEMBL4183373

SCHEMBL4183373

CCC(=O)Nc1cc(N2CCN(C3CCCC3)CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
HTT P42858 1/20 0.41
NR3C2 P08235 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL4190163 0.91 NPC1 (0.47) HRH4SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL4179669 0.88 HRH4 (0.46) HRH4SMN1; SMN2MEN1NPC1TP53
SCHEMBL4187232 0.86 HRH4 (0.46) HRH4HRH3NR3C2HTR1AADRA2C
Cyclohexane SCHEMBL4949527 0.85 HRH4 (0.48) HRH4SMN1; SMN2KDM4EALDH1A1MAPT
Cyclopentane SCHEMBL4948650 0.85 HRH4 (0.48) HRH4SMN1; SMN2KDM4EALDH1A1MAPT
Cyclopropane SCHEMBL4949151 0.85 HRH4 (0.48) HRH4SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4181159 0.81 HRH4 (0.43) HRH4HRH3NR3C2HTR1AADRA2C
SCHEMBL4180493 0.80 ALDH1A1 (0.52) HRH4SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL4172566 0.79 HTR1F (0.54) HRH4SMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL4180936 0.79 KMT2A (0.54) KDM4EALDH1A1MAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101080392-B Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE 2010-05-05 CN claimed
US-7456175-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-25 US claimed
EP-1828134-B1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS HOFFMANN LA ROCHE (CH) 2008-10-29 EP claimed
CN-101080392-A Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE (CH) 2007-11-28 CN 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
CN-101080392-B Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE 2010-05-05 CN disclosed
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
CN-101080392-A Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE (CH) 2007-11-28 CN 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 HRH4 1/4885SMN1; SMN2 3649/4885KDM4E 541/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 HRH4 1/4885SMN1; SMN2 3649/4885KDM4E 541/4885

“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.