SCHEMBL17520399

SCHEMBL17520399

CCN1CCC(C(N)=O)(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.69
OPRD1 P41143 6/20 0.69
OPRK1 P41145 6/20 0.69
ADRA1A P35348 2/20 0.54
SLC22A1 O15245 1/20 0.54
SLC6A4 P31645 1/20 0.54
KCNH2 Q12809 1/20 0.54
OPRL1 P41146 1/20 0.53
ADRA1D P25100 1/20 0.52
ADRA1B P35368 1/20 0.52
KCNA3 P22001 2/20 0.51
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL503892 0.87 OPRM1 (0.73) OPRM1OPRD1OPRK1ADRA1ASLC22A1
SCHEMBL8440281 0.86 OPRM1 (0.71) OPRM1OPRD1OPRK1ADRA1ASLC22A1
SCHEMBL8437630 0.84 OPRM1 (0.69) OPRM1OPRD1OPRK1ADRA1ASLC22A1
SCHEMBL476242 0.83 OPRL1 (0.60) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL12227090 0.82 OPRM1 (0.61) OPRM1OPRD1OPRK1ADRA1ASLC22A1
SCHEMBL11712071 0.82 OPRM1 (1.00) OPRM1OPRD1OPRK1ADRA1ASLC22A1
Hydrochloric Acid SCHEMBL2158958 0.82 POLB (0.61) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL8366154 0.82 OPRL1 (0.56) OPRM1OPRD1OPRK1ADRA1ASLC22A1
SCHEMBL6504241 0.81 OPRM1 (0.65) OPRM1OPRD1OPRK1ADRA1ASLC22A1
SCHEMBL7975314 0.79 HSD11B1 (0.55) OPRM1OPRD1OPRK1ADRA1AOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458160-B2 Peripherally restricted diphenyl purine derivatives RESEARCH TRIANGLE INSTITUTE (US) 2016-10-04 US disclosed
US-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES RES TRIANGLE INST (US) 2016-02-18 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-20160046630-A1 PERIPHERALLY RESTRICTED DIPHENYL PURINE DERIVATIVES CNR1, CNR2, P2RY1 OPRM1 33/4885OPRD1 34/4885OPRK1 22/4885

“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.