SCHEMBL4175567

SCHEMBL4175567

COc1cccc(C(=O)Nc2cc(N3CCN(C4CCCC4)CC3)ccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.55
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 2/20 0.53
LMNA P02545 2/20 0.53
QSOX1 O00391 1/20 0.53
GAA P10253 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
HTR1A P08908 1/20 0.47
HTR1F P30939 1/20 0.47

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
SCHEMBL4180936 0.89 KMT2A (0.54) KDM2BMAPTALDH1A1NPC1RAB9A
SCHEMBL4183276 0.85 RAB9A (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4181838 0.83 KDM2B (0.55) KDM2BMAPTALDH1A1NPC1RAB9A
SCHEMBL4173214 0.82 KDM4E (0.54) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4172566 0.80 HTR1F (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4179669 0.78 HRH4 (0.46) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4181159 0.78 HRH4 (0.43) HTR1A
SCHEMBL4169790 0.77 KDM4E (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
Cyclopentane SCHEMBL4948650 0.77 HRH4 (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
Cyclopropane SCHEMBL4949151 0.77 HRH4 (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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 KDM2B 770/4885MAPT 2843/4885ALDH1A1 814/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 KDM2B 770/4885MAPT 2843/4885ALDH1A1 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.