SCHEMBL6356355

SCHEMBL6356355

CN(C(=O)OCc1ccccc1)C1CCC2(CC1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
CCR5 P51681 1/20 0.46
C5AR1 P21730 13/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ENPP2 Q13822 1/20 0.39
LMNA P02545 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
SCHEMBL15987294 0.88 C5AR1 (0.47) SIGMAR1C5AR1ALDH1A1CYP2C9CYP2C19
SCHEMBL9998686 0.86 CCR5 (0.50) CCR5C5AR1
SCHEMBL803680 0.85 C5AR1 (0.56) CCR5C5AR1ALDH1A1CYP2C9CYP2C19
SCHEMBL15751249 0.85 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1ENPP2
SCHEMBL1058888 0.84 SIGMAR1 (0.60) SIGMAR1CCR5ALDH1A1ENPP2
SCHEMBL9998607 0.84 CCR5 (0.49) CCR5C5AR1
SCHEMBL19048552 0.83 C5AR1 (0.43) SIGMAR1CCR5C5AR1ALDH1A1CYP2C9
SCHEMBL31734241 0.83 SIGMAR1 (0.49) SIGMAR1CCR5ALDH1A1ENPP2
SCHEMBL27866758 0.82 SIGMAR1 (0.51) SIGMAR1CCR5ALDH1A1ENPP2
SCHEMBL8029227 0.82 SIGMAR1 (0.64) SIGMAR1CCR5ALDH1A1ENPP2

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-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation MERCK & CO., INC. 2005-11-24 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-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation BDKRB1, BDKRB2, LTB4R2 SIGMAR1 1107/4885CCR5 525/4885C5AR1 28/4885

“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.