SCHEMBL4466295

SCHEMBL4466295

CCCC=C1N(CC2CCCCC2)C(=O)OC12CCN(Cc1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
SIGMAR1 Q99720 7/20 0.42
DRD2 P14416 1/20 0.41
CCR3 P51677 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ADRA2A P08913 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
SCHEMBL4466291 1.00 OPRL1 (0.44) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL4458373 0.89 OPRL1 (0.44) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL13864883 0.89 OPRL1 (0.44) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL4476346 0.81 OPRL1 (0.49) OPRL1OPRM1OPRK1SIGMAR1DRD2
SCHEMBL4461130 0.74 CCR5 (0.62) OPRL1OPRM1
SCHEMBL9373412 0.70 SIGMAR1 (0.51) SIGMAR1DRD2CCR3GRIN2DGRIN3B
SCHEMBL7290222 0.69 SIGMAR1 (0.53) SIGMAR1DRD2CCR3GRIN2DGRIN3B
SCHEMBL4471178 0.69 CCR5 (0.59)
SCHEMBL7296681 0.68 SIGMAR1 (0.49) SIGMAR1DRD2CCR3GRIN2DGRIN3B
SCHEMBL7299028 0.68 SIGMAR1 (0.49) SIGMAR1DRD2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 US disclosed
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 US disclosed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 US disclosed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 US disclosed
US-20050176703-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2005-08-11 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 (2 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-20080139544-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 OPRL1 53/4885OPRM1 35/4885OPRK1 33/4885
US-20050176703-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 OPRL1 53/4885OPRM1 35/4885OPRK1 33/4885

“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.