SCHEMBL4172708

SCHEMBL4172708

O=C(NCc1ccccc1)NCc1ccnc(N2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.57
ACHE P22303 1/20 0.52
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
KCNH2 Q12809 1/20 0.45
EPHX1 P07099 1/20 0.44
HPGD P15428 1/20 0.44
MDM2 Q00987 1/20 0.44
CXCR3 P49682 1/20 0.44
OPRL1 P41146 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4190115 0.90 HRH3 (0.52) HRH3ACHEALDH1A1KDM4EHPGD
Cyclohexane SCHEMBL4948500 0.89 HRH3 (0.49) HRH3ACHEALDH1A1KDM4EMEN1
SCHEMBL4177281 0.88 HRH3 (0.43) HRH3ACHEALDH1A1KDM4EEPHX1
SCHEMBL4173150 0.86 EPHX1 (0.56) HRH3ALDH1A1EPHX1HPGDMEN1
SCHEMBL4174597 0.82 HRH3 (0.46) HRH3ACHEALDH1A1KDM4EHPGD
SCHEMBL4179191 0.81 CXCR3 (0.52) HRH3ALDH1A1KDM4ECXCR3
SCHEMBL4170887 0.80 ALDH1A1 (0.50) HRH3ACHEALDH1A1KDM4EMEN1
SCHEMBL2825707 0.79 HRH3 (0.55) HRH3ACHEALDH1A1KDM4EKCNH2
SCHEMBL4184451 0.79 KDM4E (0.47) HRH3KDM4EKCNH2CXCR3OPRL1
SCHEMBL4181874 0.78 KDM4E (0.50) HRH3ACHEALDH1A1KDM4EHPGD

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
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US 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 2/4885ACHE 2345/4885ALDH1A1 814/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 HRH3 2/4885ACHE 2345/4885ALDH1A1 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.