SCHEMBL4183276

SCHEMBL4183276

O=C(Nc1cc(N2CCN(C3CCCC3)CC2)ccn1)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
TSHR P16473 4/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTR1F P30939 2/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
MTOR P42345 1/20 0.44
MAPK1 P28482 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4172566 0.89 HTR1F (0.54) RAB9ANPC1SMN1; SMN2HTTTP53
SCHEMBL4175567 0.85 KDM2B (0.55) RAB9ATSHRNPC1SMN1; SMN2MAPT
SCHEMBL2075301 0.84 SMN1; SMN2 (0.58) RAB9ATSHRNPC1SMN1; SMN2MAPT
SCHEMBL4190178 0.83 SMN1; SMN2 (0.47) RAB9ATSHRNPC1SMN1; SMN2MAPT
SCHEMBL4180936 0.80 KMT2A (0.54) RAB9ANPC1MAPTHTTTP53
Cyclopropane SCHEMBL4949151 0.80 HRH4 (0.48) RAB9ATSHRNPC1SMN1; SMN2MAPT
Cyclohexane SCHEMBL4949527 0.80 HRH4 (0.48) RAB9ATSHRNPC1SMN1; SMN2MAPT
Cyclopentane SCHEMBL4948650 0.80 HRH4 (0.48) RAB9ATSHRNPC1SMN1; SMN2MAPT
SCHEMBL4190389 0.78 MAPT (0.53) RAB9ASMN1; SMN2MAPTHTTKDM4E
SCHEMBL4183373 0.77 HRH4 (0.48) RAB9ATSHRNPC1SMN1; SMN2MAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101080392-B Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE 2010-05-05 CN claimed
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
CN-101080392-A Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE (CH) 2007-11-28 CN 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
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 RAB9A 2211/4885TSHR 66/4885NPC1 1029/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 RAB9A 2211/4885TSHR 66/4885NPC1 1029/4885

“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.