SCHEMBL737235

SCHEMBL737235

c1ccc(COc2ccc(N3CCC4(CC3)CO4)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PRMT5 O14744 1/20 0.46
LTA4H P09960 1/20 0.46
MMP13 P45452 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
RAB9A P51151 7/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 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
SCHEMBL737426 0.85 GRIN1 (0.47) MAPTKDM4ELMNAHTTALDH1A1
SCHEMBL737726 0.81 MAPT (0.48) MAPTKDM4ELMNAHTTALDH1A1
SCHEMBL735914 0.81 MMP13 (0.45) MAPTKDM4ELMNAHTTALDH1A1
SCHEMBL17543823 0.81 LTA4H (0.57) MAPTKDM4EHTTALDH1A1LTA4H
SCHEMBL16046663 0.81 LTA4H (0.62) MAPTKDM4ELMNAHTTALDH1A1
SCHEMBL738666 0.80 SIGMAR1 (0.59) MAPTKDM4ELMNAHTTALDH1A1
SCHEMBL17543136 0.80 PRMT5 (0.42) KDM4ELMNAHTTALDH1A1PRMT5
SCHEMBL4673297 0.80 MAPT (0.50) MAPTKDM4ELMNAHTTALDH1A1
SCHEMBL17544186 0.80 MAPT (0.50) MAPTKDM4ELMNAHTTALDH1A1
SCHEMBL737194 0.79 SIGMAR1 (0.50) MAPTKDM4ELMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.