SCHEMBL8259117

SCHEMBL8259117

CC(C)CC1(O)CCN(C(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.34
ALOX15 P16050 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
OPRM1 P35372 1/20 0.30
GRIN1 Q05586 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL8260608 0.89 GRIN2D (0.35) S1PR2GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL22693498 0.84 S1PR2 (0.32) S1PR2ALOX15
SCHEMBL8260601 0.79 GRIN2D (0.32) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16554027 0.79 GRIN2D (0.32) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL19004613 0.75
SCHEMBL23559407 0.74 GRIN2D (0.30) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL22693494 0.72 S1PR2 (0.40) S1PR2GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL8442331 0.72 TSHR (0.36) ALOX15OPRM1
SCHEMBL8260606 0.71 OPRM1 (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL10205046 0.70 GRIN2D (0.38) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-11-26 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 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 (3 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-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 S1PR2 155/4885ALOX15 855/4885GRIN2D 525/4885
US-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF S1PR2, S1PR1, S1PR3 S1PR2 1/4885ALOX15 2526/4885GRIN2D 2411/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 S1PR2 158/4885ALOX15 838/4885GRIN2D 540/4885

“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.