SCHEMBL6011043

SCHEMBL6011043

CC(C)(C)c1ccc(/C=C\C2CCN(C(=O)CN3CCOCC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
CNR2 P34972 1/20 0.40
NAMPT P43490 1/20 0.40
MAOB P27338 2/20 0.40
WNT3 P56703 1/20 0.40
SFRP1 Q8N474 1/20 0.40
MAPK1 P28482 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
SCHEMBL10069891 1.00 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2729623 0.93 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2729621 0.93 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6011034 0.89 MAOB (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6011774 0.88 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL6011075 0.88 MAOB (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6011036 0.88 ALOX15 (0.50) NPC1SMN1; SMN2ALDH1A1GAAALOX15
SCHEMBL14261813 0.86 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6011748 0.85 MAOB (0.50) NPC1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL14261815 0.85 MAOB (0.50) ALDH1A1LMNAALOX15TSHRHSD17B10

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 RAB9A 1557/4885NPC1 762/4885SMN1; SMN2 191/4885

“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.