SCHEMBL6011036

SCHEMBL6011036

O=C(CN1CCOCC1)N1CCC(/C=C/c2ccc(O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NAMPT P43490 3/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 2/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL6011774 0.91 ALDH1A1 (0.53) ALOX15TSHRHSD17B10NAMPTKMT2A
SCHEMBL6011748 0.91 MAOB (0.50) ALOX15TSHRHSD17B10NAMPTKMT2A
SCHEMBL2718661 0.91 MAOB (0.50) ALOX15TSHRHSD17B10NAMPTKMT2A
SCHEMBL6011051 0.91 ALOX15 (0.48) ALOX15TSHRHSD17B10NAMPTKMT2A
SCHEMBL6012010 0.91 TSHR (0.48) ALOX15TSHRHSD17B10NAMPTKMT2A
SCHEMBL14261815 0.91 MAOB (0.50) ALOX15TSHRHSD17B10NAMPTKMT2A
SCHEMBL14261828 0.91 MAOB (0.50) ALOX15TSHRHSD17B10NAMPTKMT2A
SCHEMBL6012034 0.91 MAOB (0.50) ALOX15TSHRHSD17B10NAMPTKMT2A
SCHEMBL2718666 0.91 MAOB (0.50) ALOX15TSHRHSD17B10NAMPTKMT2A
SCHEMBL14261817 0.90 TSHR (0.50) ALOX15TSHRHSD17B10NAMPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1785415-B1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-20080070898-A1 Piperidine Derivative or Pharmaceutically Acceptable Salt Thereof ASTELLAS PHARMA INC. (JP) 2008-03-20 US disclosed
US-20080070898-A1 Piperidine Derivative or Pharmaceutically Acceptable Salt Thereof ASTELLAS PHARMA INC. (JP) 2008-03-20 US disclosed
EP-1785415-A1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-16 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-20080070898-A1 Piperidine Derivative or Pharmaceutically Acceptable Salt Thereof TRPV1, TRPA1, CACNA1D ALOX15 1198/4885TSHR 4110/4885HSD17B10 2065/4885

“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.