SCHEMBL4177530

SCHEMBL4177530

CCCC(=O)Nc1ccnc(N2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HRH3 Q9Y5N1 2/20 0.45
MCHR1 Q99705 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.43
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
OPRK1 P41145 1/20 0.42
KDR P35968 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 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
SCHEMBL5620464 0.93 KDM4E (0.50) MAPTKDM4EALDH1A1HRH3MCHR1
SCHEMBL4180493 0.91 ALDH1A1 (0.52) MAPTKDM4EALDH1A1HRH3MCHR1
SCHEMBL4184650 0.85 MAPT (0.44) MAPTKDM4EALDH1A1HRH3RAB9A
SCHEMBL4172218 0.84 KMT2A (0.44) MAPTKDM4EALDH1A1HRH3MCHR1
SCHEMBL4170894 0.84 HRH3 (0.44) MAPTKDM4EALDH1A1HRH3MCHR1
SCHEMBL2826412 0.83 MAPT (0.52) MAPTKDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL4181874 0.83 KDM4E (0.50) MAPTKDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL4174597 0.83 HRH3 (0.46) MAPTKDM4EALDH1A1HRH3GAA
SCHEMBL4183212 0.83 CYP2D6 (0.61) ALDH1A1MCHR1SMN1; SMN2NPC1DRD2
Cyclopropane SCHEMBL4950789 0.83 HRH3 (0.46) MAPTKDM4EALDH1A1HRH3MCHR1

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

“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.