SCHEMBL6011965

SCHEMBL6011965

NC(=O)c1cccc(/C=C/C2CCN(C(=O)CN3CCOCC3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NAMPT P43490 2/20 0.41
KCNH2 Q12809 1/20 0.40
HTT P42858 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
POLB P06746 1/20 0.39
WNT3 P56703 1/20 0.39
SFRP1 Q8N474 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.38
MAOA P21397 2/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2719437 0.91 TSHR (0.43) ALOX15TSHRHSD17B10NAMPTKCNH2
SCHEMBL2719435 0.91 TSHR (0.43) ALOX15TSHRHSD17B10NAMPTKCNH2
SCHEMBL6011799 0.88 TSHR (0.44) MAOBALOX15TSHRHSD17B10NAMPT
SCHEMBL14261844 0.87 MAOB (0.57) MAOBALOX15TSHRHSD17B10NAMPT
SCHEMBL2718621 0.87 ALDH1A1 (0.53) ALOX15TSHRHSD17B10NAMPTALDH1A1
SCHEMBL6011042 0.87 ALDH1A1 (0.53) ALOX15TSHRHSD17B10NAMPTALDH1A1
SCHEMBL2718627 0.87 ALDH1A1 (0.53) ALOX15TSHRHSD17B10NAMPTALDH1A1
SCHEMBL14261838 0.87 ALOX15 (0.40) MAOBALOX15TSHRHSD17B10NAMPT
SCHEMBL14261804 0.86 NPC1 (0.46) MAOBALOX15TSHRHSD17B10NAMPT
SCHEMBL6011020 0.85 ALOX15 (0.38) MAOBALOX15TSHRHSD17B10NAMPT

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 3198/4885ALOX15 1198/4885TSHR 4110/4885

“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.