SCHEMBL4805091

SCHEMBL4805091

CC(C)CCNCc1ccc(Oc2ccc(C#N)cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.69
OPRD1 P41143 9/20 0.46
P2RX3 P56373 4/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1B Q00975 1/20 0.42
OPRK1 P41145 6/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
ROCK1 Q13464 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
ACACB O00763 3/20 0.41

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
SCHEMBL13285531 0.83 OPRM1 (0.48) OPRM1OPRD1P2RX3CACNA1GCACNA1B
SCHEMBL580286 0.82 OPRM1 (0.48) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3696595 0.81 OPRM1 (1.00) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL4806009 0.80 OPRM1 (0.51) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL11946734 0.79 OPRM1 (0.57) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL10476541 0.78 OPRM1 (0.63) OPRM1OPRD1P2RX3OPRK1GRIN2D
SCHEMBL11945496 0.78 OPRM1 (0.60) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL14159393 0.78 OPRM1 (0.60) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL4809645 0.77 OPRM1 (0.70) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL1532866 0.77 OPRM1 (0.70) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699783-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-07-25 EP disclosed
EP-1699783-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-07-25 EP disclosed
US-7414132-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-7414132-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-7414132-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
EP-1699783-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-09-13 EP disclosed
WO-2005066164-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-07-21 WO 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-20070112036-A1 Opioid receptor antagonists OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885P2RX3 305/4885

“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.