SCHEMBL4190065

SCHEMBL4190065

CC(C)N1CCN(c2ncc[c]c2C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 19/20 0.43
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL3106399 0.82 SIRT2 (0.40) —
SCHEMBL4168206 0.76 HRH3 (0.43) HRH3
SCHEMBL3318389 0.69 PTPN11 (0.44) HRH3
SCHEMBL2829654 0.69 HRH3 (0.47) HRH3
SCHEMBL2826271 0.68 MKNK1 (0.39) —
SCHEMBL4455470 0.68 HRH3 (0.52) HRH3HDAC3HDAC1HDAC6
SCHEMBL4176041 0.67 HRH3 (0.54) HRH3
SCHEMBL4197090 0.67 HRH3 (0.46) HRH3
SCHEMBL5235550 0.66 KDM4E (0.40) HRH3HDAC3HDAC1HDAC6
SCHEMBL22587519 0.66 GRIN2D (0.50) HRH3

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
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
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 HRH3 2/4885HDAC3 63/4885HDAC1 72/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 HRH3 2/4885HDAC3 63/4885HDAC1 72/4885

“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.

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