SCHEMBL735914

SCHEMBL735914

O=C1COC2(CCN(c3ccc(OCc4ccccc4)cc3)CC2)CN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.45
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MCHR1 Q99705 1/20 0.41
LRRK2 Q5S007 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRKDC P78527 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRMT5 O14744 2/20 0.39

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
SCHEMBL764288 0.82 LRRK2 (0.44) MAPTKDM4ELMNAALDH1A1LRRK2
SCHEMBL737235 0.81 MAPT (0.49) MMP13MAPTKDM4ELMNAALDH1A1
SCHEMBL738812 0.80 HTR3E (0.46) MAPTKDM4ELMNAALDH1A1LRRK2
SCHEMBL738666 0.80 SIGMAR1 (0.59) MMP13MAPTKDM4ELMNAALDH1A1
SCHEMBL735864 0.79 HRH3 (0.56) MAPTALDH1A1MAOB
SCHEMBL737194 0.79 SIGMAR1 (0.50) MMP13MAPTKDM4ELMNAALDH1A1
SCHEMBL737209 0.78 FASN (0.50) MMP13MAPTKDM4ELMNAALDH1A1
SCHEMBL739140 0.78 MAPT (0.45) MMP13MAPTKDM4ELMNAALDH1A1
SCHEMBL737239 0.78 SIGMAR1 (0.44) MMP13MAPTKDM4ELMNAALDH1A1
SCHEMBL738517 0.78 SIGMAR1 (0.42) MMP13MAPTKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892241-B1 NOVEL PIPERIDINE DERIVATIVE MSD KK (JP) 2016-03-30 EP disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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 (1 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 MMP13 4174/4885MAPT 4377/4885KDM4E 1039/4885

“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.