SCHEMBL4170979

SCHEMBL4170979

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
USP30 Q70CQ3 1/20 0.40
KDM2B Q8NHM5 2/20 0.39
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.38
WNT1 P04628 2/20 0.38
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38

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
SCHEMBL2829204 0.86 HRH3 (0.44) HRH3KDM2BNAMPT
SCHEMBL4170894 0.81 HRH3 (0.44) HRH3USP30KDM2BGRIN2DGRIN3B
SCHEMBL4169766 0.78 GRIN2D (0.47) HRH3TLR9TLR8TLR7GRIN2D
SCHEMBL5611454 0.78 HRH3 (0.41) HRH3TLR9TLR8TLR7WNT1
SCHEMBL4180493 0.77 ALDH1A1 (0.52) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4186459 0.77 POLB (0.46) HRH3USP30KDM2BTSHRMCHR1
SCHEMBL4172218 0.77 KMT2A (0.44) HRH3USP30GRIN2DGRIN3BGRIN1
SCHEMBL4190068 0.76 MEN1 (0.47) HRH3USP30GRIN2DGRIN3BGRIN1
Cyclopentane SCHEMBL4947613 0.76 HRH3 (0.46) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4949994 0.76 HRH3 (0.46) HRH3GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US 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 HRH3 2/4885USP30 3263/4885KDM2B 770/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 HRH3 2/4885USP30 3263/4885KDM2B 770/4885

“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.