SCHEMBL6484166

SCHEMBL6484166

CCC1(c2ccccc2OC(=O)CC(O)(CC(=O)O)C(=O)O)C2CN(CCCC3(O)CCCCC3)CC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC13A5 Q86YT5 1/20 0.32
HTR7 P34969 2/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4699399 0.84 OPRM1 (0.56) OPRM1OPRD1OPRK1KCNH2KDM4E
Citric Acid SCHEMBL4700323 0.79 OPRM1 (0.60) OPRM1OPRD1OPRK1KCNH2
Citric Acid SCHEMBL4755344 0.79 OPRM1 (0.59) OPRM1OPRD1OPRK1KCNH2KDM4E
Citric Acid SCHEMBL4755341 0.77 OPRM1 (0.57) OPRM1OPRD1OPRK1KCNH2
Citric Acid SCHEMBL4699202 0.77 OPRM1 (0.81) OPRM1OPRD1OPRK1KCNH2
SCHEMBL4755342 0.76 OPRM1 (0.65) OPRM1OPRD1OPRK1KCNH2KMT2A
Citric Acid SCHEMBL5458523 0.74 OPRM1 (0.75) OPRM1OPRD1OPRK1KCNH2
SCHEMBL4699211 0.71 OPRM1 (0.64) OPRM1OPRD1OPRK1KCNH2
Citric Acid SCHEMBL4701926 0.70 OPRM1 (0.41) OPRM1OPRD1OPRK1KCNH2DRD2
SCHEMBL4698334 0.65 OPRM1 (0.69) OPRM1OPRD1OPRK1KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC 2005-08-04 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-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885

“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.