SCHEMBL3086692

SCHEMBL3086692

COc1cccc(C2(O)CCCN(C(=O)c3ccccc3OC(C)=O)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
ATM Q13315 1/20 0.45
HTT P42858 2/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
KMT2A Q03164 3/20 0.43
GRIN2B Q13224 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3086823 0.85 NPC1 (0.49) ALDH1A1NPC1RAB9AATMHTT
SCHEMBL3079279 0.85 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AATMOPRM1
SCHEMBL3084860 0.82 HPGD (0.51) ALDH1A1NPC1RAB9AATMOPRM1
SCHEMBL3093616 0.81 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AATMOPRM1
SCHEMBL3081032 0.80 CYP3A4 (0.56) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL3080049 0.80 PROKR1 (0.53) ALDH1A1GRIN2BLMNASMN1; SMN2
SCHEMBL3083741 0.80 ALDH1A1 (0.50) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3080412 0.79 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AATMOPRM1
SCHEMBL3088779 0.79 HPGD (0.52) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3086922 0.79 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AOPRM1OPRD1

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
US-7790898-B2 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2010-09-07 US claimed
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-07-26 US claimed
US-7790898-B2 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2010-09-07 US disclosed
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-07-26 US 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-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use OPRK1, OPRD1, OPRL1 ALDH1A1 698/4885NPC1 1170/4885RAB9A 1423/4885

“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.