SCHEMBL6011034

SCHEMBL6011034

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
HIF1A Q16665 2/20 0.51
EPAS1 Q99814 2/20 0.51
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
WNT3 P56703 1/20 0.44
SFRP1 Q8N474 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
NAMPT P43490 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 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
SCHEMBL6011043 0.89 RAB9A (0.53) MAOBALOX15TSHRHSD17B10WNT3
SCHEMBL10069891 0.89 RAB9A (0.53) MAOBALOX15TSHRHSD17B10WNT3
SCHEMBL2729623 0.88 ALDH1A1 (0.44) MAOBALOX15TSHRHSD17B10WNT3
SCHEMBL2729621 0.88 ALDH1A1 (0.44) MAOBALOX15TSHRHSD17B10WNT3
SCHEMBL14261828 0.88 MAOB (0.50) MAOBALOX15TSHRHSD17B10NAMPT
SCHEMBL6011748 0.88 MAOB (0.50) MAOBALOX15TSHRHSD17B10NAMPT
SCHEMBL6011036 0.88 ALOX15 (0.50) MAOBALOX15TSHRHSD17B10NAMPT
SCHEMBL6012031 0.86 EPHX2 (0.46) ALOX15TSHRHSD17B10WNT3SFRP1
SCHEMBL14261815 0.85 MAOB (0.50) MAOBALOX15TSHRHSD17B10KCNH2
SCHEMBL6012010 0.85 TSHR (0.48) MAOBALOX15TSHRHSD17B10WNT3

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 MAOB 3198/4885HIF1A 3130/4885EPAS1 3178/4885

“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.