SCHEMBL13330404

SCHEMBL13330404

CCCC1(c2ccccc2)CCCN1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.39
DRD4 P21917 1/20 0.39
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
SLC22A1 O15245 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD2 P14416 1/20 0.36
OPRL1 P41146 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CYP2B6 P20813 1/20 0.35
SLC6A2 P23975 1/20 0.35
PRCP P42785 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35

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
SCHEMBL30829193 0.95 SLC6A4 (0.41) OPRM1DRD4GRIN1GRIN2AOPRD1
SCHEMBL8416690 0.90 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL13543953 0.86 OPRM1 (0.41) OPRM1DRD4GRIN1GRIN2AOPRD1
SCHEMBL156223 0.82 MEN1 (0.36)
SCHEMBL159477 0.82 MEN1 (0.36)
SCHEMBL20502783 0.74 MEN1 (0.45) OPRM1GRIN1GRIN2AOPRD1OPRK1
SCHEMBL5925778 0.74 TDP1 (0.37) KCNH2
SCHEMBL11307514 0.72 MEN1 (0.43) OPRM1OPRD1OPRL1
SCHEMBL28213508 0.71 GRIN1 (0.54) OPRM1DRD4GRIN1GRIN2AOPRD1
SCHEMBL4296257 0.69 OPRM1 (0.44) OPRM1DRD4GRIN1GRIN2AOPRD1

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-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 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-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 OPRM1 2369/4885DRD4 4770/4885GRIN1 2306/4885

“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.