SCHEMBL4184629

SCHEMBL4184629

COc1cccc(CC(=O)Nc2ccnc(N3CCN(C4CCCC4)CC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
ACKR3 P25106 1/20 0.51
KCNQ2 O43526 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48
POLB P06746 2/20 0.48
USP2 O75604 1/20 0.47
KDM6B O15054 1/20 0.47
KDM5A P29375 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
PRKACA P17612 2/20 0.46
ROCK1 Q13464 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL2824642 0.88 MAPT (0.53) MAPTACKR3KCNQ2GAATP53
SCHEMBL4181874 0.87 KDM4E (0.50) MAPTACKR3POLBUSP2HTR1A
SCHEMBL4181838 0.84 KDM2B (0.55) MAPTGAATP53POLBHTR1A
SCHEMBL4175600 0.81 ANO1 (0.48) MAPTKCNQ2GAAMEN1KMT2A
SCHEMBL4180493 0.81 ALDH1A1 (0.52) MAPTGAATSHR
SCHEMBL4177530 0.79 MAPT (0.53) MAPTGAATP53
SCHEMBL4181786 0.77 ALDH1A1 (0.45) MAPTGAAPOLBUSP2HTR1A
SCHEMBL4186459 0.76 POLB (0.46) MAPTPOLBHTR1AADRA1DADRA1A
SCHEMBL4184577 0.76 MAPT (0.51) MAPTTP53MEN1KMT2A
SCHEMBL30366861 0.76 MAPT (0.58) MAPTKCNQ2GAAPRKACAROCK1

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 MAPT 2843/4885ACKR3 588/4885KCNQ2 674/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 MAPT 2843/4885ACKR3 588/4885KCNQ2 674/4885

“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.