SCHEMBL8440281

SCHEMBL8440281

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

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.71
OPRD1 P41143 7/20 0.71
OPRK1 P41145 6/20 0.71
SLC22A1 O15245 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
KCNH2 Q12809 1/20 0.55
KCNA3 P22001 2/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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 0.89 OPRM1 (0.73) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8437630 0.86 OPRM1 (0.69) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL5848377 0.86 OPRD1 (0.54) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL17520399 0.86 OPRM1 (0.69) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL5330651 0.84 CYP2D6 (0.61) OPRM1OPRD1OPRK1KCNA3
SCHEMBL11712071 0.83 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6504241 0.83 OPRM1 (0.65) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8324812 0.81 OPRM1 (0.63) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL18068774 0.81 OPRM1 (0.62) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6643987 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1ADRA1AKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CARPINO PHILIP A 2007-09-13 US disclosed
US-7232823-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. (US) 2007-06-19 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 OPRM1 6/4885OPRD1 9/4885OPRK1 5/4885
US-20070213334-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR2, CNR1, GPR18 OPRM1 12/4885OPRD1 31/4885OPRK1 5/4885
US-20110105493-A1 HETEROCYCLYL SUBSTITUTED ARYLINDENOPYRIMIDINES AND THEIR USE AS HIGHLY SELECTIVE ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B OPRM1 364/4885OPRD1 230/4885OPRK1 336/4885

“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.