SCHEMBL737726

SCHEMBL737726

NCC1(O)CCN(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 3/20 0.47
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
SLC6A4 P31645 2/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 1/20 0.45
MAOA P21397 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL737235 0.81 MAPT (0.49) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL737638 0.81 RAB9A (0.46) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL27940735 0.81 MAPT (0.46) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL737426 0.80 GRIN1 (0.47) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL735913 0.79 KDM4E (0.48) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL4940044 0.79 KDM4E (0.51) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL16046663 0.78 LTA4H (0.62) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL736957 0.78 KDM4E (0.50) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL737545 0.78 MAPT (0.50) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL32665477 0.78 PRMT5 (0.46) MAPTKDM4ELMNAALDH1A1HTT

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
CN-101228127-B Piperidine derivatives BANYU PHARMA CO LTD 2012-05-16 CN 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
CN-101228127-A Novel Piperidine Derivatives BANYU PHARMA CO LTD (JP) 2008-07-23 CN 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 MAPT 4377/4885KDM4E 1039/4885LMNA 4494/4885

“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.