SCHEMBL4184451

SCHEMBL4184451

O=C(NCc1ccc(F)cc1)Nc1ccnc(N2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
CCR3 P51677 5/20 0.46
CXCR3 P49682 2/20 0.45
RAB9A P51151 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 3/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 1/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PRMT3 O60678 1/20 0.42
OPRL1 P41146 1/20 0.42
GAA P10253 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
SCHEMBL4175600 0.86 ANO1 (0.48) KDM4ECXCR3HRH3SMN1; SMN2GAA
SCHEMBL4183275 0.83 RAB9A (0.50) RAB9AHRH3NPC1SMN1; SMN2
SCHEMBL4184650 0.82 MAPT (0.44) KDM4ECCR3RAB9AHRH3
SCHEMBL4179191 0.80 CXCR3 (0.52) KDM4ECXCR3RAB9AHRH3NAMPT
SCHEMBL2824240 0.80 NPC1 (0.50) KDM4ECCR3CXCR3RAB9AHRH3
SCHEMBL4172708 0.79 HRH3 (0.57) KDM4ECXCR3HRH3KCNH2OPRL1
SCHEMBL4177328 0.79 MEN1 (0.53) KDM4ERAB9APOLBNPC1SMN1; SMN2
SCHEMBL4949994 0.78 HRH3 (0.46) KDM4ERAB9AHRH3NPC1SMN1; SMN2
Cyclopropane SCHEMBL4950789 0.78 HRH3 (0.46) KDM4ERAB9AHRH3NPC1SMN1; SMN2
Cyclopentane SCHEMBL4947613 0.78 HRH3 (0.46) KDM4ERAB9AHRH3NPC1SMN1; SMN2

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 541/4885CCR3 866/4885CXCR3 326/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 KDM4E 541/4885CCR3 866/4885CXCR3 326/4885

“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.