SCHEMBL4181874

SCHEMBL4181874

O=C(Cc1ccccc1)Nc1ccnc(N2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
ACHE P22303 1/20 0.48
SLC2A1 P11166 1/20 0.48
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
NR4A1 P22736 1/20 0.46
DRD2 P14416 3/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 4/20 0.46

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
SCHEMBL4175600 0.90 ANO1 (0.48) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL4184629 0.87 MAPT (0.53) MAPTMEN1USP2POLBKMT2A
SCHEMBL4180493 0.85 ALDH1A1 (0.52) KDM4EALDH1A1MAPTHPGDDRD2
SCHEMBL4190115 0.84 HRH3 (0.52) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL2825546 0.84 WNT3A (0.52) KDM4EALDH1A1MAPTMEN1POLB
Cyclopentane SCHEMBL4947613 0.83 HRH3 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
Cyclohexane SCHEMBL4949278 0.83 HRH3 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
Cyclopropane SCHEMBL4950789 0.83 HRH3 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4949994 0.83 HRH3 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4177530 0.83 MAPT (0.53) KDM4EALDH1A1MAPTHPGDDRD2

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 KDM4E 541/4885ALDH1A1 814/4885MAPT 2843/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 KDM4E 541/4885ALDH1A1 814/4885MAPT 2843/4885

“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.