SCHEMBL4180936

SCHEMBL4180936

COc1ccc(C(=O)Nc2cc(N3CCN(C4CCCC4)CC3)ccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
KDM2B Q8NHM5 1/20 0.51
FGFR1 P11362 2/20 0.49
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
NR4A1 P22736 1/20 0.48
MCL1 Q07820 1/20 0.48
F2 P00734 1/20 0.48
HDAC1 Q13547 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 3/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
TLR9 Q9NR96 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
MEN1 O00255 2/20 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
SCHEMBL4175567 0.89 KDM2B (0.55) KMT2AKDM2BRAB9AALDH1A1MAPT
SCHEMBL4172566 0.87 HTR1F (0.54) FGFR1RAB9AALDH1A1NPC1MAPK14
SCHEMBL4173214 0.82 KDM4E (0.54) KMT2AFGFR1RAB9AALDH1A1MAPT
SCHEMBL4179669 0.81 HRH4 (0.46) KMT2ARAB9ANPC1MEN1TP53
SCHEMBL2075739 0.80 KMT2A (0.54) KMT2AKDM2BRAB9AALDH1A1MAPT
SCHEMBL4183276 0.80 RAB9A (0.50) KMT2ARAB9AALDH1A1MAPTKDM4E
SCHEMBL4181159 0.80 HRH4 (0.43) FGFR1
Cyclohexane SCHEMBL4949527 0.80 HRH4 (0.48) KMT2ARAB9AALDH1A1MAPTKDM4E
Cyclopentane SCHEMBL4948650 0.80 HRH4 (0.48) KMT2ARAB9AALDH1A1MAPTKDM4E
Cyclopropane SCHEMBL4949151 0.80 HRH4 (0.48) KMT2ARAB9AALDH1A1MAPTKDM4E

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 KMT2A 409/4885KDM2B 770/4885FGFR1 328/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 KMT2A 409/4885KDM2B 770/4885FGFR1 328/4885

“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.