SCHEMBL4176047

SCHEMBL4176047

CNc1ccnc(N2CCN(C(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
HRH3 Q9Y5N1 8/20 0.43
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
TGFBR1 P36897 1/20 0.42
WNT1 P04628 3/20 0.42
GSK3B P49841 3/20 0.42
DYRK1A Q13627 3/20 0.42
ACHE P22303 2/20 0.40

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
Hydrochloric Acid SCHEMBL4174448 0.98 GRIN2D (0.52) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL4184608 0.83 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9989365 0.83 GRIN2D (0.61) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL4098509 0.82 GRIN2D (0.60) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL28531378 0.81 GRIN2D (0.58) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
Cyclohexane SCHEMBL4943993 0.80 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15345050 0.80 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15341763 0.78 TLR9 (0.46) HRH3TLR9TLR8TLR7WNT1
SCHEMBL4172255 0.78 GRIN2D (0.49) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL4107242 0.78 GRIN2D (0.56) GRIN2DGRIN3BCHRM1ADRA1DADRA1A

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 12 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
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US 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 GRIN2D 858/4885GRIN3B 803/4885CHRM1 11/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 GRIN2D 858/4885GRIN3B 803/4885CHRM1 11/4885

“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.