SCHEMBL4166256

SCHEMBL4166256

NC(=O)c1cc(N2CCN(C3CCCC3)CC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.49
▸ OPRM1 P35372 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ TP53BP1 Q12888 3/20 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
SCHEMBL30489430 0.82 USP30 (0.47) KDM4EUSP30HRH4
SCHEMBL4200961 0.81 ACHE (0.50) HRH3OPRM1KDM4EHTR1A
SCHEMBL4166257 0.80 ACVR1 (0.44) HRH3HRH1HRH4
SCHEMBL15511394 0.79 HRH4 (0.54) KDM4EADRA2CHRH4TP53BP1
SCHEMBL4177089 0.77 HRH3 (0.53) HRH3KDM4E
SCHEMBL4168169 0.77 HRH4 (0.44) HRH3POLBHTR1AHRH1HRH4
Cyclopropane SCHEMBL4949151 0.77 HRH4 (0.48) HRH3KDM4ENR3C2HTR1AADRA2C
Cyclopentane SCHEMBL4948650 0.77 HRH4 (0.48) HRH3KDM4ENR3C2HTR1AADRA2C
Cyclohexane SCHEMBL4949527 0.77 HRH4 (0.48) HRH3KDM4ENR3C2HTR1AADRA2C
SCHEMBL2563048 0.77 USP30 (0.39) OPRM1USP30TP53BP1

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 2/4885OPRM1 75/4885KDM4E 541/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 HRH3 2/4885OPRM1 75/4885KDM4E 541/4885

“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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