SCHEMBL2729623

SCHEMBL2729623

CC(C)(O)c1ccc(C=CC2CCN(C(=O)CN3CCOCC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAOB P27338 8/20 0.42
NAMPT P43490 1/20 0.40
WNT3 P56703 1/20 0.40
SFRP1 Q8N474 1/20 0.40
MAPK1 P28482 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL2729621 1.00 ALDH1A1 (0.44) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6011043 0.93 RAB9A (0.53) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10069891 0.93 RAB9A (0.53) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6011034 0.88 MAOB (0.53) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL14261813 0.87 SMN1; SMN2 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL6011774 0.87 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL6011036 0.87 ALOX15 (0.50) ALDH1A1NPC1SMN1; SMN2ALOX15TSHR
SCHEMBL6012010 0.84 TSHR (0.48) ALDH1A1NPC1SMN1; SMN2ALOX15TSHR
SCHEMBL6011748 0.84 MAOB (0.50) ALDH1A1NPC1ALOX15TSHRHSD17B10
SCHEMBL2718666 0.84 MAOB (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX15

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
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
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 ALDH1A1 863/4885HPGD 1220/4885NPC1 762/4885

“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.